2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine

C17H22N6 — CID 146258694

IUPAC2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC2CC2)nc(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C17H22N6/c1-11(13-4-5-13)20-17-22-15(14-6-8-18-9-7-14)21-16(23-17)19-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyMSRRFNQKPASOOM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.97
Rot. Bonds7

About 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine

2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 146258694) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID146258694
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NCC2CC2)nc(-c2ccncc2)n1)C1CC1
InChIInChI=1S/C17H22N6/c1-11(13-4-5-13)20-17-22-15(14-6-8-18-9-7-14)21-16(23-17)19-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyMSRRFNQKPASOOM-UHFFFAOYSA-N
XLogP2.97
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
CID 146258692
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 126624883
2-N,4-N-bis(1-cyclopropylethyl)-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 123878608
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230
8-bromo-4-N-(1-cyclopropylethyl)-2-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 135382723
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
4-[[(4-phenyl-6-pyridin-4-ylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 118724773
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 123967056
8-bromo-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046229
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 138580125

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine (CID 146258694) is 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NCC2CC2)nc(-c2ccncc2)n1)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MSRRFNQKPASOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-11(13-4-5-13)20-17-22-15(14-6-8-18-9-7-14)21-16(23-17)19-10-12-2-3-12/h6-9,11-13H,2-5,10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 310.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).