6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

C15H25N5 — CID 54580885

IUPAC6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1
InChIInChI=1S/C15H25N5/c1-17-12-6-7-20(10-12)13-8-14(16)19-15(9-13)18-11-4-2-3-5-11/h8-9,11-12,17H,2-7,10H2,1H3,(H3,16,18,19)/t12-/m1/s1
InChIKeyYRVJMPFPNDEDBN-GFCCVEGCSA-N
MW275.40 g/mol
LogP1.82
Rot. Bonds4

About 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (PubChem CID 54580885) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
PubChem CID54580885
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1
InChIInChI=1S/C15H25N5/c1-17-12-6-7-20(10-12)13-8-14(16)19-15(9-13)18-11-4-2-3-5-11/h8-9,11-12,17H,2-7,10H2,1H3,(H3,16,18,19)/t12-/m1/s1
InChIKeyYRVJMPFPNDEDBN-GFCCVEGCSA-N
XLogP1.82
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227340
4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54586763
(R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54587787
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54587788
1,2-Dimethyl-4-[ethyl(phenyl)amino]-6-(methylamino)-1-pyrimidinium
CID 3938007
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839
n-Isobutyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44546966
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547126
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyridin-2-amine
CID 44547127
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44547564

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (CID 54580885) is 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)c2)C1.
What is the InChIKey of 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The InChIKey is YRVJMPFPNDEDBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5/c1-17-12-6-7-20(10-12)13-8-14(16)19-15(9-13)18-11-4-2-3-5-11/h8-9,11-12,17H,2-7,10H2,1H3,(H3,16,18,19)/t12-/m1/s1.
What are the key properties of 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is sourced from PubChem (CID 54580885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).