6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

C11H14ClN5 — CID 106193436

IUPAC6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1cn[nH]c1
InChIInChI=1S/C11H14ClN5/c1-7(2)9-10(12)14-6-15-11(9)13-3-8-4-16-17-5-8/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyLQXACHMNKBWASG-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.59
Rot. Bonds4

About 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine

6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 106193436) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID106193436
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1NCc1cn[nH]c1
InChIInChI=1S/C11H14ClN5/c1-7(2)9-10(12)14-6-15-11(9)13-3-8-4-16-17-5-8/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyLQXACHMNKBWASG-UHFFFAOYSA-N
XLogP2.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
CID 106193468
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 79918333
methyl 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 55229687
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729301
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730180

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine (CID 106193436) is 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is CC(C)c1c(Cl)ncnc1NCc1cn[nH]c1.
What is the InChIKey of 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is LQXACHMNKBWASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)9-10(12)14-6-15-11(9)13-3-8-4-16-17-5-8/h4-7H,3H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).