2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine

C17H20N8 — CID 110269626

IUPAC2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H20N8/c1-12-9-14(24-17-20-4-2-5-21-17)23-16(22-12)13-3-8-25(10-13)11-15-18-6-7-19-15/h2,4-7,9,13H,3,8,10-11H2,1H3,(H,18,19)(H,20,21,22,23,24)
InChIKeyRUQMXQYRBAENDM-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine

2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 110269626) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID110269626
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc(C2CCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H20N8/c1-12-9-14(24-17-20-4-2-5-21-17)23-16(22-12)13-3-8-25(10-13)11-15-18-6-7-19-15/h2,4-7,9,13H,3,8,10-11H2,1H3,(H,18,19)(H,20,21,22,23,24)
InChIKeyRUQMXQYRBAENDM-UHFFFAOYSA-N
XLogP2.03
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820330
2-[(3R)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820195
2-[(3S)-3-[4-methyl-6-(pyrimidin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
CID 95820196
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842387
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 95829944
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-2-methyl-N-pyrazin-2-ylpyrimidin-4-amine
CID 124989953
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
N-[2-[1-(1H-imidazol-2-ylmethyl)piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 155985353
4-[[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]amino]-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-N-methylbenzenesulfonamide
CID 69227628
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine (CID 110269626) is 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ncccn2)nc(C2CCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is RUQMXQYRBAENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-12-9-14(24-17-20-4-2-5-21-17)23-16(22-12)13-3-8-25(10-13)11-15-18-6-7-19-15/h2,4-7,9,13H,3,8,10-11H2,1H3,(H,18,19)(H,20,21,22,23,24).
What are the key properties of 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine?
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methyl-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 110269626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).