4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine

C18H20N6 — CID 124959054

IUPAC4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
SMILESCc1cnc(-c2cc(C[C@H]3CCN(c4ccccn4)C3)ncn2)[nH]1
InChIInChI=1S/C18H20N6/c1-13-10-20-18(23-13)16-9-15(21-12-22-16)8-14-5-7-24(11-14)17-4-2-3-6-19-17/h2-4,6,9-10,12,14H,5,7-8,11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyGKMQLLQSAUKLNT-CQSZACIVSA-N
MW320.40 g/mol
LogP2.64
Rot. Bonds4

About 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine

4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine (PubChem CID 124959054) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
PubChem CID124959054
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
SMILESCc1cnc(-c2cc(C[C@H]3CCN(c4ccccn4)C3)ncn2)[nH]1
InChIInChI=1S/C18H20N6/c1-13-10-20-18(23-13)16-9-15(21-12-22-16)8-14-5-7-24(11-14)17-4-2-3-6-19-17/h2-4,6,9-10,12,14H,5,7-8,11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyGKMQLLQSAUKLNT-CQSZACIVSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
CID 110099473
2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110099748
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
4-(5-methyl-1H-pyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101299
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidine
CID 125001125
4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101300
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101065
6-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridazin-3-amine
CID 95847067

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine (CID 124959054) is 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine is Cc1cnc(-c2cc(C[C@H]3CCN(c4ccccn4)C3)ncn2)[nH]1.
What is the InChIKey of 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine?
The InChIKey is GKMQLLQSAUKLNT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-10-20-18(23-13)16-9-15(21-12-22-16)8-14-5-7-24(11-14)17-4-2-3-6-19-17/h2-4,6,9-10,12,14H,5,7-8,11H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine?
4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 124959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).