4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine

C20H29N5 — CID 96579101

IUPAC4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCC[C@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C20H29N5/c1-3-5-17-12-22-15(2)23-20(17)24-10-4-6-18(14-24)19-21-9-11-25(19)13-16-7-8-16/h9,11-12,16,18H,3-8,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyWBOPXLLLTXFBEO-SFHVURJKSA-N
MW339.49 g/mol
LogP3.73
Rot. Bonds6

About 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine

4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine (PubChem CID 96579101) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine
PubChem CID96579101
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine
SMILESCCCc1cnc(C)nc1N1CCC[C@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C20H29N5/c1-3-5-17-12-22-15(2)23-20(17)24-10-4-6-18(14-24)19-21-9-11-25(19)13-16-7-8-16/h9,11-12,16,18H,3-8,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyWBOPXLLLTXFBEO-SFHVURJKSA-N
XLogP3.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine?
The IUPAC name of 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine (CID 96579101) is 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine.
What is the SMILES notation for 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine?
The canonical SMILES for 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine is CCCc1cnc(C)nc1N1CCC[C@H](c2nccn2CC2CC2)C1.
What is the InChIKey of 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine?
The InChIKey is WBOPXLLLTXFBEO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N5/c1-3-5-17-12-22-15(2)23-20(17)24-10-4-6-18(14-24)19-21-9-11-25(19)13-16-7-8-16/h9,11-12,16,18H,3-8,10,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine?
4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine has a molecular weight of 339.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-methyl-5-propylpyrimidine is sourced from PubChem (CID 96579101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).