6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine

C20H24ClN5 — CID 135243389

IUPAC6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(N[C@H](C)C2CC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H24ClN5/c1-12(11-14-3-4-14)22-19-24-18(16-7-9-17(21)10-8-16)25-20(26-19)23-13(2)15-5-6-15/h7-11,13-15H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t13-/m1/s1
InChIKeyMFPYJFIDDDECAE-CYBMUJFWSA-N
MW369.90 g/mol
LogP5.13
Rot. Bonds7

About 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine

6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 135243389) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID135243389
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(=CC1CC1)Nc1nc(N[C@H](C)C2CC2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H24ClN5/c1-12(11-14-3-4-14)22-19-24-18(16-7-9-17(21)10-8-16)25-20(26-19)23-13(2)15-5-6-15/h7-11,13-15H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t13-/m1/s1
InChIKeyMFPYJFIDDDECAE-CYBMUJFWSA-N
XLogP5.13
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
CID 146258692
2-N-(1-cyclopropylprop-1-en-2-yl)-4-N-pentan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 126624842
2-N,4-N-bis(1-cyclopropylethyl)-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 123878608
2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 146258694
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 138580125
6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
CID 80782289
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 126624883
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 123967056
N-[4-acetamido-6-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,5-triazin-2-yl]acetamide
CID 134098728
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156865932
6-N-(1-cyclopropylethyl)-4-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-2-phenylpyrimidine-4,6-diamine
CID 139393313
6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 135243425

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine (CID 135243389) is 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine is CC(=CC1CC1)Nc1nc(N[C@H](C)C2CC2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MFPYJFIDDDECAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-12(11-14-3-4-14)22-19-24-18(16-7-9-17(21)10-8-16)25-20(26-19)23-13(2)15-5-6-15/h7-11,13-15H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t13-/m1/s1.
What are the key properties of 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine?
6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.90 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N-(1-cyclopropylprop-1-en-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135243389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).