4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine

C13H17N5 — CID 124641296

IUPAC4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
SMILESCn1ccnc1-c1cc(C[C@@H]2CCNC2)ncn1
InChIInChI=1S/C13H17N5/c1-18-5-4-15-13(18)12-7-11(16-9-17-12)6-10-2-3-14-8-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyMNVWNJSAOTWNAL-JTQLQIEISA-N
MW243.31 g/mol
LogP1.03
Rot. Bonds3

About 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine

4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine (PubChem CID 124641296) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
PubChem CID124641296
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
SMILESCn1ccnc1-c1cc(C[C@@H]2CCNC2)ncn1
InChIInChI=1S/C13H17N5/c1-18-5-4-15-13(18)12-7-11(16-9-17-12)6-10-2-3-14-8-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyMNVWNJSAOTWNAL-JTQLQIEISA-N
XLogP1.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
4-{(E)-2-[4-phenyl-1-(2-pyrrolidin-1-ylethyl)-1H-imidazol-5-yl]vinyl}pyrimidin-2-amine
CID 44586896
2-Methyl-4-(pyrrolidin-3-yl)pyrimidine
CID 80503403
N4-((1-methyl-4-phenyl-1H-imidazol-5-yl)methyl)pyrimidine-2,4-diamine
CID 44586901
4-(2-(1-methyl-4-phenyl-1H-imidazol-5-ylamino)ethyl)pyrimidin-2-amine
CID 44586928
1-ethyl-3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]piperidine
CID 50975361
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56706955
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 56872162
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-cyclopentyl-N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpyrimidin-2-amine
CID 56878036

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine (CID 124641296) is 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine is Cn1ccnc1-c1cc(C[C@@H]2CCNC2)ncn1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine?
The InChIKey is MNVWNJSAOTWNAL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5/c1-18-5-4-15-13(18)12-7-11(16-9-17-12)6-10-2-3-14-8-10/h4-5,7,9-10,14H,2-3,6,8H2,1H3/t10-/m0/s1.
What are the key properties of 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine?
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 124641296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).