5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C19H20ClN5O2 — CID 174053483

IUPAC5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(Cl)c(-c2cnn(C3CCOCC3)c2)n1
InChIInChI=1S/C19H20ClN5O2/c1-26-17-5-3-2-4-16(17)23-19-21-11-15(20)18(24-19)13-10-22-25(12-13)14-6-8-27-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,21,23,24)
InChIKeyMWMPDBQJBOGDFH-UHFFFAOYSA-N
MW385.86 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 174053483) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID174053483
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc(Cl)c(-c2cnn(C3CCOCC3)c2)n1
InChIInChI=1S/C19H20ClN5O2/c1-26-17-5-3-2-4-16(17)23-19-21-11-15(20)18(24-19)13-10-22-25(12-13)14-6-8-27-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,21,23,24)
InChIKeyMWMPDBQJBOGDFH-UHFFFAOYSA-N
XLogP4.10
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxy-N-(2-methoxyphenyl)benzamide
CID 156865418
4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxybenzaldehyde
CID 167428511
[4-[[5-chloro-4-[1-(difluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 167428529
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
3-[4-[5-chloro-2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]pyrazol-1-yl]butanenitrile
CID 156865481
4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203798
2-[5-chloro-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(1-cyanoethyl)benzamide
CID 174217550
4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203648
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxy-N-propan-2-ylbenzamide
CID 156865451
[4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanethione
CID 168838686
2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
CID 171627252
4-[[5-chloro-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methoxy-N-methyl-N-propan-2-ylbenzamide
CID 156865471

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 174053483) is 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is COc1ccccc1Nc1ncc(Cl)c(-c2cnn(C3CCOCC3)c2)n1.
What is the InChIKey of 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is MWMPDBQJBOGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-26-17-5-3-2-4-16(17)23-19-21-11-15(20)18(24-19)13-10-22-25(12-13)14-6-8-27-9-7-14/h2-5,10-12,14H,6-9H2,1H3,(H,21,23,24).
What are the key properties of 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 385.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 174053483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).