N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine

C21H26N6O — CID 71272176

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)nc(C)n2)nc1
InChIInChI=1S/C21H26N6O/c1-13-5-6-19(22-10-13)18-8-16(18)12-28-21-9-20(24-15(3)25-21)23-11-17-7-14(2)26-27(17)4/h5-7,9-10,16,18H,8,11-12H2,1-4H3,(H,23,24,25)/t16-,18+/m1/s1
InChIKeyJZSSDQMNEYDQLS-AEFFLSMTSA-N
MW378.48 g/mol
LogP3.32
Rot. Bonds7

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 71272176) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID71272176
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)nc(C)n2)nc1
InChIInChI=1S/C21H26N6O/c1-13-5-6-19(22-10-13)18-8-16(18)12-28-21-9-20(24-15(3)25-21)23-11-17-7-14(2)26-27(17)4/h5-7,9-10,16,18H,8,11-12H2,1-4H3,(H,23,24,25)/t16-,18+/m1/s1
InChIKeyJZSSDQMNEYDQLS-AEFFLSMTSA-N
XLogP3.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 71272176) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cc(C)nn3C)nc(C)n2)nc1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is JZSSDQMNEYDQLS-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13-5-6-19(22-10-13)18-8-16(18)12-28-21-9-20(24-15(3)25-21)23-11-17-7-14(2)26-27(17)4/h5-7,9-10,16,18H,8,11-12H2,1-4H3,(H,23,24,25)/t16-,18+/m1/s1.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 378.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 71272176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).