4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

C17H28N4 — CID 63257362

IUPAC4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(C3CCCN3)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-12(2)17-19-13(3)11-16(20-17)21-9-6-14(7-10-21)15-5-4-8-18-15/h11-12,14-15,18H,4-10H2,1-3H3
InChIKeyAGIRORXPCBSMRD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.88
Rot. Bonds3

About 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine

4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 63257362) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
PubChem CID63257362
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(C3CCCN3)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H28N4/c1-12(2)17-19-13(3)11-16(20-17)21-9-6-14(7-10-21)15-5-4-8-18-15/h11-12,14-15,18H,4-10H2,1-3H3
InChIKeyAGIRORXPCBSMRD-UHFFFAOYSA-N
XLogP2.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
CID 80702341
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
CID 84585847
3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 133315366
cis-(1R,2S)-N,2-dimethyl-N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 95318242
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
1-(4-methylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 17452594
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine (CID 63257362) is 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is Cc1cc(N2CCC(C3CCCN3)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is AGIRORXPCBSMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12(2)17-19-13(3)11-16(20-17)21-9-6-14(7-10-21)15-5-4-8-18-15/h11-12,14-15,18H,4-10H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine?
4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 63257362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).