6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C13H18ClN5 — CID 114251632

IUPAC6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-8(2)11-12(14)15-7-16-13(11)17-10-5-6-19(18-10)9(3)4/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyMLEBEHGUGYQJAO-UHFFFAOYSA-N
MW279.78 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114251632) has the molecular formula C13H18ClN5 and a molecular weight of 279.78 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114251632
Molecular FormulaC13H18ClN5
Molecular Weight279.78 g/mol
Exact Mass279.13
IUPAC Name6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C13H18ClN5/c1-8(2)11-12(14)15-7-16-13(11)17-10-5-6-19(18-10)9(3)4/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyMLEBEHGUGYQJAO-UHFFFAOYSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250773
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114250932
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114251632) is 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1ccn(C(C)C)n1.
What is the InChIKey of 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is MLEBEHGUGYQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-8(2)11-12(14)15-7-16-13(11)17-10-5-6-19(18-10)9(3)4/h5-9H,1-4H3,(H,15,16,17,18).
What are the key properties of 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 279.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114251632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).