5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine

C10H12ClN5 — CID 131946110

IUPAC5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1[nH]ncc1CN(C)c1ncc(Cl)cn1
InChIInChI=1S/C10H12ClN5/c1-7-8(3-14-15-7)6-16(2)10-12-4-9(11)5-13-10/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyTVQGIQPEPAKKNS-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.80
Rot. Bonds3

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

5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 131946110) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID131946110
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1[nH]ncc1CN(C)c1ncc(Cl)cn1
InChIInChI=1S/C10H12ClN5/c1-7-8(3-14-15-7)6-16(2)10-12-4-9(11)5-13-10/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyTVQGIQPEPAKKNS-UHFFFAOYSA-N
XLogP1.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 118972141
6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 138031318
2-(methoxymethyl)-N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 126823286
N,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine
CID 133418158
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
CID 131907349
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131908366
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
CID 65079880
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747484
2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61003066
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine (CID 131946110) is 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine is Cc1[nH]ncc1CN(C)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is TVQGIQPEPAKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7-8(3-14-15-7)6-16(2)10-12-4-9(11)5-13-10/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 131946110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).