4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C19H34N6 — CID 142023617

IUPAC4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCC(CNc2nc(NC(C)C)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H34N6/c1-4-15-7-9-16(10-8-15)13-20-17-22-18(21-14(2)3)24-19(23-17)25-11-5-6-12-25/h14-16H,4-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyCXRJCJWHOAIUDV-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.92
Rot. Bonds7

About 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 142023617) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID142023617
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC1CCC(CNc2nc(NC(C)C)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H34N6/c1-4-15-7-9-16(10-8-15)13-20-17-22-18(21-14(2)3)24-19(23-17)25-11-5-6-12-25/h14-16H,4-13H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyCXRJCJWHOAIUDV-UHFFFAOYSA-N
XLogP3.92
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[[[ethyl(propyl)sulfamoyl]amino]methyl]cyclohexyl]methylamino]-4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 71129568
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772042
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298766
4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-N-(1-cyclopropylpropan-2-yl)-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80820229
N-(1-cyclopropylpropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911324
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
4-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80899693
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793614
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 142023617) is 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC1CCC(CNc2nc(NC(C)C)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CXRJCJWHOAIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-4-15-7-9-16(10-8-15)13-20-17-22-18(21-14(2)3)24-19(23-17)25-11-5-6-12-25/h14-16H,4-13H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 142023617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).