N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine

C12H14N6 — CID 95814825

IUPACN-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCNC3)n2)nc1
InChIInChI=1S/C12H14N6/c1-4-14-11(15-5-1)18-12-16-7-3-10(17-12)9-2-6-13-8-9/h1,3-5,7,9,13H,2,6,8H2,(H,14,15,16,17,18)/t9-/m0/s1
InChIKeyNNGLQWJWTICHTA-VIFPVBQESA-N
MW242.29 g/mol
LogP1.09
Rot. Bonds3

About N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine

N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 95814825) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID95814825
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC NameN-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCNC3)n2)nc1
InChIInChI=1S/C12H14N6/c1-4-14-11(15-5-1)18-12-16-7-3-10(17-12)9-2-6-13-8-9/h1,3-5,7,9,13H,2,6,8H2,(H,14,15,16,17,18)/t9-/m0/s1
InChIKeyNNGLQWJWTICHTA-VIFPVBQESA-N
XLogP1.09
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 110089639
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
4-(azetidin-3-yl)-N-(3-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110089633
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95836667
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 124957141
N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 155982517
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
CID 124702274

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine (CID 95814825) is N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine is c1cnc(Nc2nccc([C@H]3CCNC3)n2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is NNGLQWJWTICHTA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N6/c1-4-14-11(15-5-1)18-12-16-7-3-10(17-12)9-2-6-13-8-9/h1,3-5,7,9,13H,2,6,8H2,(H,14,15,16,17,18)/t9-/m0/s1.
What are the key properties of N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine?
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 242.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95814825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).