4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H22N6 — CID 80825594

IUPAC4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCC2)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N6/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20(11-5-6-11)9-10-3-4-10/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyQCAGNTMQRYWPCG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.43
Rot. Bonds5

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

4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80825594) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80825594
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N2CCCC2)nc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C14H22N6/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20(11-5-6-11)9-10-3-4-10/h10-11H,1-9H2,(H2,15,16,17,18)
InChIKeyQCAGNTMQRYWPCG-UHFFFAOYSA-N
XLogP1.43
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
CID 80810678
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
4-N-cyclopentyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80775975
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80830801
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80834390
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80825594) is 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(N2CCCC2)nc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QCAGNTMQRYWPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c15-12-16-13(19-7-1-2-8-19)18-14(17-12)20(11-5-6-11)9-10-3-4-10/h10-11H,1-9H2,(H2,15,16,17,18).
What are the key properties of 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).