6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine

C12H16ClN5 — CID 114156495

IUPAC6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cn[nH]c1C
InChIInChI=1S/C12H16ClN5/c1-3-4-10-11(13)15-7-16-12(10)14-5-9-6-17-18-8(9)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyPZWPEOGGAOOSAE-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.73
Rot. Bonds5

About 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine

6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 114156495) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine
PubChem CID114156495
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cn[nH]c1C
InChIInChI=1S/C12H16ClN5/c1-3-4-10-11(13)15-7-16-12(10)14-5-9-6-17-18-8(9)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyPZWPEOGGAOOSAE-UHFFFAOYSA-N
XLogP2.73
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86809014
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
CID 63790853
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 63730091
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
4-[[(6-chloro-5-propylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181739
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-propylpyrimidin-4-amine
CID 104727823
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine (CID 114156495) is 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCc1cn[nH]c1C.
What is the InChIKey of 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is PZWPEOGGAOOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-3-4-10-11(13)15-7-16-12(10)14-5-9-6-17-18-8(9)2/h6-7H,3-5H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 114156495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).