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

C11H18N4 — CID 13375504

IUPAC2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKeyJMSBGUKOMZSBMF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.01
Rot. Bonds2

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

2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 13375504) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID13375504
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3
InChIKeyJMSBGUKOMZSBMF-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine
CID 9260
1-(2-Pyrimidinyl)piperazine
CID 88747
N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-Methylpyrimidine
CID 78748
2,2'-Bipyrimidine
CID 123444
N,N-Dimethylpyrimidin-4-amine
CID 579196
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
2-[4-(Methylsulfonyl)-1-piperazinyl]pyrimidine
CID 841759
4-(Pyrimidin-2-yl)thiomorpholine
CID 868189
2-(4-(Pyrazin-2-yl)piperazin-1-yl)pyrimidine
CID 2458984

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 13375504) is 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is JMSBGUKOMZSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 206.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 13375504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).