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

C12H14N6 — CID 95836667

IUPACN-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCCN3)n2)nc1
InChIInChI=1S/C12H14N6/c1-3-9(13-5-1)10-4-8-16-12(17-10)18-11-14-6-2-7-15-11/h2,4,6-9,13H,1,3,5H2,(H,14,15,16,17,18)/t9-/m1/s1
InChIKeyOFPHXKQIMWWCHC-SECBINFHSA-N
MW242.29 g/mol
LogP1.43
Rot. Bonds3

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

N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 95836667) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID95836667
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC NameN-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2nccc([C@H]3CCCN3)n2)nc1
InChIInChI=1S/C12H14N6/c1-3-9(13-5-1)10-4-8-16-12(17-10)18-11-14-6-2-7-15-11/h2,4,6-9,13H,1,3,5H2,(H,14,15,16,17,18)/t9-/m1/s1
InChIKeyOFPHXKQIMWWCHC-SECBINFHSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(2S)-piperidin-2-yl]pyrimidin-2-amine
CID 95827769
6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95836671
4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
N-(4-pyrrolidin-2-ylpyrimidin-2-yl)cyclopropanesulfonamide
CID 167035052
4-pyrrolidin-2-ylpyrimidin-2-amine
CID 53408029
5-methyl-N-(4-piperidin-2-ylpyrimidin-2-yl)-1,3-thiazol-2-amine;dihydrochloride
CID 171700358
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 110089639
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine (CID 95836667) is N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine is c1cnc(Nc2nccc([C@H]3CCCN3)n2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is OFPHXKQIMWWCHC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N6/c1-3-9(13-5-1)10-4-8-16-12(17-10)18-11-14-6-2-7-15-11/h2,4,6-9,13H,1,3,5H2,(H,14,15,16,17,18)/t9-/m1/s1.
What are the key properties of N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine?
N-pyrimidin-2-yl-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 242.29 g/mol, XLogP of 1.43, 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-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 95836667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).