2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

C21H23N5O — CID 71274147

IUPAC2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C21H23N5O/c1-14-11-22-8-6-16(14)12-24-20-10-21(26-15(2)25-20)27-13-17-9-18(17)19-5-3-4-7-23-19/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,24,25,26)/t17-,18+/m1/s1
InChIKeyPCINJCMXJVAFDP-MSOLQXFVSA-N
MW361.45 g/mol
LogP3.68
Rot. Bonds7

About 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71274147) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71274147
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C21H23N5O/c1-14-11-22-8-6-16(14)12-24-20-10-21(26-15(2)25-20)27-13-17-9-18(17)19-5-3-4-7-23-19/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,24,25,26)/t17-,18+/m1/s1
InChIKeyPCINJCMXJVAFDP-MSOLQXFVSA-N
XLogP3.68
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (CID 71274147) is 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1.
What is the InChIKey of 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is PCINJCMXJVAFDP-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-11-22-8-6-16(14)12-24-20-10-21(26-15(2)25-20)27-13-17-9-18(17)19-5-3-4-7-23-19/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,24,25,26)/t17-,18+/m1/s1.
What are the key properties of 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 361.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-4-pyridinyl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71274147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).