4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one

C18H21ClN10O — CID 162023158

IUPAC4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1c(Nc2nccc(=O)[nH]2)cnn1C.Cc1c(Nc2nccc(Cl)n2)cnn1C
InChIInChI=1S/C9H10ClN5.C9H11N5O/c1-6-7(5-12-15(6)2)13-9-11-4-3-8(10)14-9;1-6-7(5-11-14(6)2)12-9-10-4-3-8(15)13-9/h3-5H,1-2H3,(H,11,13,14);3-5H,1-2H3,(H2,10,12,13,15)
InChIKeyYUZYVQZIKAGKKX-UHFFFAOYSA-N
MW428.89 g/mol
LogP2.47
Rot. Bonds4

About 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one

4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 162023158) has the molecular formula C18H21ClN10O and a molecular weight of 428.89 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID162023158
Molecular FormulaC18H21ClN10O
Molecular Weight428.89 g/mol
Exact Mass428.16
IUPAC Name4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1c(Nc2nccc(=O)[nH]2)cnn1C.Cc1c(Nc2nccc(Cl)n2)cnn1C
InChIInChI=1S/C9H10ClN5.C9H11N5O/c1-6-7(5-12-15(6)2)13-9-11-4-3-8(10)14-9;1-6-7(5-11-14(6)2)12-9-10-4-3-8(15)13-9/h3-5H,1-2H3,(H,11,13,14);3-5H,1-2H3,(H2,10,12,13,15)
InChIKeyYUZYVQZIKAGKKX-UHFFFAOYSA-N
XLogP2.47
TPSA131.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-chloro-4-methoxypyrimidine;1,5-dimethylpyrazol-4-amine;N-(1,5-dimethylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
CID 161217106
6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
CID 162747889
N-(4-chloropyrimidin-2-yl)-2-methylpyrimidin-4-amine
CID 118237983
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
N-(1-tert-butylpyrazol-4-yl)-4-chloropyrimidin-2-amine
CID 152506703
2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 90023254
N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
(4R)-4-[3-[6-[2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-4-hydroxy-2-methyl-2-azabicyclo[3.1.0]hexan-3-one
CID 170385337
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
1-[3-[[5-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-fluoroanilino]prop-2-en-1-ol
CID 146424429
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
N-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one (CID 162023158) is 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is Cc1c(Nc2nccc(=O)[nH]2)cnn1C.Cc1c(Nc2nccc(Cl)n2)cnn1C.
What is the InChIKey of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is YUZYVQZIKAGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5.C9H11N5O/c1-6-7(5-12-15(6)2)13-9-11-4-3-8(10)14-9;1-6-7(5-11-14(6)2)12-9-10-4-3-8(15)13-9/h3-5H,1-2H3,(H,11,13,14);3-5H,1-2H3,(H2,10,12,13,15).
What are the key properties of 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one?
4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 428.89 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 162023158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).