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

C15H26N6 — CID 80830801

IUPAC2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCCCCC1Nc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C15H26N6/c1-11-7-3-2-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyPNIBJMWLOAXCFL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds3

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

2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80830801) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80830801
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC1CCCCCC1Nc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C15H26N6/c1-11-7-3-2-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyPNIBJMWLOAXCFL-UHFFFAOYSA-N
XLogP2.43
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 80825889
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80778221
2-N-(3,4-dimethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80827386
6-piperidin-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80836332
4-hydrazinyl-N-(2-methylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80907174
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
2-N-(2,3-dimethylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826348
2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112746224
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
4-(4-methylazepan-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80834390
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80830801) is 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CC1CCCCCC1Nc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PNIBJMWLOAXCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-11-7-3-2-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).