2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

C12H20FN5 — CID 66901948

IUPAC2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)C1CC1
InChIInChI=1S/C12H20FN5/c1-6(2)9(8-4-5-8)15-12-17-10(7(3)13)16-11(14)18-12/h6-9H,4-5H2,1-3H3,(H3,14,15,16,17,18)/t7-,9+/m1/s1
InChIKeyNMBQLEQWNCMAER-APPZFPTMSA-N
MW253.32 g/mol
LogP2.33
Rot. Bonds5

About 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 66901948) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
PubChem CID66901948
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)C1CC1
InChIInChI=1S/C12H20FN5/c1-6(2)9(8-4-5-8)15-12-17-10(7(3)13)16-11(14)18-12/h6-9H,4-5H2,1-3H3,(H3,14,15,16,17,18)/t7-,9+/m1/s1
InChIKeyNMBQLEQWNCMAER-APPZFPTMSA-N
XLogP2.33
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
s-Triazine, 2-amino-4-(cyclohexylamino)-6-isopropyl-
CID 207482
6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 44370889
6-cyclohexyl-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 155558396
2-N-(1-cyclohexylethyl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15477544
2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 15477558
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769869
6-(2-fluoropropan-2-yl)-2-N-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 18769876
6-(2-fluoropropan-2-yl)-2-N-pentan-2-yl-1,3,5-triazine-2,4-diamine
CID 18769877
6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
CID 18769881
6-(2-fluoropropan-2-yl)-2-N-heptan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769884
6-(1-fluoroethyl)-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769890

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CID 66901948) is 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is CC(C)[C@H](Nc1nc(N)nc([C@@H](C)F)n1)C1CC1.
What is the InChIKey of 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NMBQLEQWNCMAER-APPZFPTMSA-N. The full InChI is InChI=1S/C12H20FN5/c1-6(2)9(8-4-5-8)15-12-17-10(7(3)13)16-11(14)18-12/h6-9H,4-5H2,1-3H3,(H3,14,15,16,17,18)/t7-,9+/m1/s1.
What are the key properties of 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 253.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-cyclopropyl-2-methylpropyl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66901948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).