4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine

C18H21N5O — CID 133380147

IUPAC4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)n1
InChIInChI=1S/C18H21N5O/c1-13(2)17-14(11-20-18-19-10-9-16(21-18)24-3)12-23(22-17)15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyQDIDYCVPEXLGOW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.41
Rot. Bonds6

About 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine

4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 133380147) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID133380147
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)n1
InChIInChI=1S/C18H21N5O/c1-13(2)17-14(11-20-18-19-10-9-16(21-18)24-3)12-23(22-17)15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3,(H,19,20,21)
InChIKeyQDIDYCVPEXLGOW-UHFFFAOYSA-N
XLogP3.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 112670520
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 17499839
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
CID 71845500
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041216
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 133380147) is 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine is COc1ccnc(NCc2cn(-c3ccccc3)nc2C(C)C)n1.
What is the InChIKey of 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is QDIDYCVPEXLGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(2)17-14(11-20-18-19-10-9-16(21-18)24-3)12-23(22-17)15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 133380147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).