4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

C19H30N4 — CID 167796179

IUPAC4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESc1nc(C2CCCCC2)cc(N2CCC(CN3CCCC3)C2)n1
InChIInChI=1S/C19H30N4/c1-2-6-17(7-3-1)18-12-19(21-15-20-18)23-11-8-16(14-23)13-22-9-4-5-10-22/h12,15-17H,1-11,13-14H2
InChIKeyHGROTCHFNZWVAI-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.45
Rot. Bonds4

About 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine

4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 167796179) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID167796179
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESc1nc(C2CCCCC2)cc(N2CCC(CN3CCCC3)C2)n1
InChIInChI=1S/C19H30N4/c1-2-6-17(7-3-1)18-12-19(21-15-20-18)23-11-8-16(14-23)13-22-9-4-5-10-22/h12,15-17H,1-11,13-14H2
InChIKeyHGROTCHFNZWVAI-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 167796179) is 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is c1nc(C2CCCCC2)cc(N2CCC(CN3CCCC3)C2)n1.
What is the InChIKey of 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is HGROTCHFNZWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-2-6-17(7-3-1)18-12-19(21-15-20-18)23-11-8-16(14-23)13-22-9-4-5-10-22/h12,15-17H,1-11,13-14H2.
What are the key properties of 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine?
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 314.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 167796179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).