6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine

C22H23N7O — CID 134153731

IUPAC6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC[C@@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1
InChIInChI=1S/C22H23N7O/c1-28-10-4-5-16(28)13-30-17-8-9-20(23-12-17)27-21-11-22(25-14-24-21)29-15-26-18-6-2-3-7-19(18)29/h2-3,6-9,11-12,14-16H,4-5,10,13H2,1H3,(H,23,24,25,27)/t16-/m1/s1
InChIKeyJCQSAYNTEFQHGH-MRXNPFEDSA-N
MW401.47 g/mol
LogP3.43
Rot. Bonds6

About 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine

6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 134153731) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
PubChem CID134153731
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine
SMILESCN1CCC[C@@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1
InChIInChI=1S/C22H23N7O/c1-28-10-4-5-16(28)13-30-17-8-9-20(23-12-17)27-21-11-22(25-14-24-21)29-15-26-18-6-2-3-7-19(18)29/h2-3,6-9,11-12,14-16H,4-5,10,13H2,1H3,(H,23,24,25,27)/t16-/m1/s1
InChIKeyJCQSAYNTEFQHGH-MRXNPFEDSA-N
XLogP3.43
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine (CID 134153731) is 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine is CN1CCC[C@@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is JCQSAYNTEFQHGH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-10-4-5-16(28)13-30-17-8-9-20(23-12-17)27-21-11-22(25-14-24-21)29-15-26-18-6-2-3-7-19(18)29/h2-3,6-9,11-12,14-16H,4-5,10,13H2,1H3,(H,23,24,25,27)/t16-/m1/s1.
What are the key properties of 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine?
6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 401.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-[5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134153731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).