2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C14H22N4 — CID 126855055

IUPAC2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C14H22N4/c1-11(2)17-7-9-18(10-8-17)13-5-6-15-14(16-13)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJVQNRBOAALPMHI-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.88
Rot. Bonds3

About 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine

2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 126855055) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID126855055
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C14H22N4/c1-11(2)17-7-9-18(10-8-17)13-5-6-15-14(16-13)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJVQNRBOAALPMHI-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2,2'-Bipyrimidine
CID 123444
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 57399829
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227255
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227319
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 126855055) is 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CC(C)N1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is JVQNRBOAALPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)17-7-9-18(10-8-17)13-5-6-15-14(16-13)12-3-4-12/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 126855055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).