2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine

C16H20N6 — CID 139022902

IUPAC2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C16H20N6/c1-12-9-17-16(18-10-12)22-6-4-21(5-7-22)15-8-14(13-2-3-13)19-11-20-15/h8-11,13H,2-7H2,1H3
InChIKeyKLDHVLQLIPHSPW-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine

2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 139022902) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID139022902
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1
InChIInChI=1S/C16H20N6/c1-12-9-17-16(18-10-12)22-6-4-21(5-7-22)15-8-14(13-2-3-13)19-11-20-15/h8-11,13H,2-7H2,1H3
InChIKeyKLDHVLQLIPHSPW-UHFFFAOYSA-N
XLogP1.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
2-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163348144
5-(1-methylcyclopropyl)oxy-3-[6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 131709767
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357867

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine (CID 139022902) is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCN(c3cc(C4CC4)ncn3)CC2)nc1.
What is the InChIKey of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is KLDHVLQLIPHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-12-9-17-16(18-10-12)22-6-4-21(5-7-22)15-8-14(13-2-3-13)19-11-20-15/h8-11,13H,2-7H2,1H3.
What are the key properties of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine?
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 296.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 139022902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).