5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C12H19ClN4 — CID 176692044

IUPAC5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1ncc(Cl)c(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H19ClN4/c1-9(2)16-4-6-17(7-5-16)12-11(13)8-14-10(3)15-12/h8-9H,4-7H2,1-3H3
InChIKeyFTPCKEBOCKFZGT-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.97
Rot. Bonds2

About 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine

5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 176692044) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID176692044
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1ncc(Cl)c(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C12H19ClN4/c1-9(2)16-4-6-17(7-5-16)12-11(13)8-14-10(3)15-12/h8-9H,4-7H2,1-3H3
InChIKeyFTPCKEBOCKFZGT-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-methylpyrimidine
CID 135098911
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
CID 89256954
CID 89256954
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 137334359
7-(5-chloro-2-methylpyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 137340601
1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135096791
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine
CID 82235514
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
1-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 137339200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 176692044) is 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine is Cc1ncc(Cl)c(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is FTPCKEBOCKFZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9(2)16-4-6-17(7-5-16)12-11(13)8-14-10(3)15-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 254.76 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 176692044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).