6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C14H20F3N5 — CID 162445328

IUPAC6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N[C@H](C)C(F)(F)F)nc(C2=CCCC2)n1
InChIInChI=1S/C14H20F3N5/c1-8(2)18-12-20-11(10-6-4-5-7-10)21-13(22-12)19-9(3)14(15,16)17/h6,8-9H,4-5,7H2,1-3H3,(H2,18,19,20,21,22)/t9-/m1/s1
InChIKeyPODLLJSGIUWPAB-SECBINFHSA-N
MW315.34 g/mol
LogP3.62
Rot. Bonds5

About 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162445328) has the molecular formula C14H20F3N5 and a molecular weight of 315.34 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID162445328
Molecular FormulaC14H20F3N5
Molecular Weight315.34 g/mol
Exact Mass315.17
IUPAC Name6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N[C@H](C)C(F)(F)F)nc(C2=CCCC2)n1
InChIInChI=1S/C14H20F3N5/c1-8(2)18-12-20-11(10-6-4-5-7-10)21-13(22-12)19-9(3)14(15,16)17/h6,8-9H,4-5,7H2,1-3H3,(H2,18,19,20,21,22)/t9-/m1/s1
InChIKeyPODLLJSGIUWPAB-SECBINFHSA-N
XLogP3.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-3-[4-[(3,3-difluorocyclopentyl)amino]-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 176644508
3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 166860072
(1S)-2-fluoro-3-[4-(1,1,1-trifluoropropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohept-2-en-1-ol
CID 162445395
3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6-difluorocyclohex-2-en-1-ol
CID 151036273
(1R)-3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-1-deuterio-2,6-difluorocyclohex-2-en-1-ol
CID 162445387
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 67989157
6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 160677400
6-(6-methylsulfanyl-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 170162210
6-(2-cyclobutylethynyl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 175731872
3-[4-(cyclobutylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162445333
6-(6-chloro-2-pyridinyl)-2-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 123884185
1-deuterio-2-fluoro-3-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 162445372

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 162445328) is 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N[C@H](C)C(F)(F)F)nc(C2=CCCC2)n1.
What is the InChIKey of 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PODLLJSGIUWPAB-SECBINFHSA-N. The full InChI is InChI=1S/C14H20F3N5/c1-8(2)18-12-20-11(10-6-4-5-7-10)21-13(22-12)19-9(3)14(15,16)17/h6,8-9H,4-5,7H2,1-3H3,(H2,18,19,20,21,22)/t9-/m1/s1.
What are the key properties of 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 315.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162445328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).