4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine

C22H30N6 — CID 130328936

IUPAC4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESC/C=C\c1ncc(CN2CCC(c3cc(C)nc(N4CCCC4)n3)CC2)cn1
InChIInChI=1S/C22H30N6/c1-3-6-21-23-14-18(15-24-21)16-27-11-7-19(8-12-27)20-13-17(2)25-22(26-20)28-9-4-5-10-28/h3,6,13-15,19H,4-5,7-12,16H2,1-2H3/b6-3-
InChIKeyOAUGRIDBGIPTOI-UTCJRWHESA-N
MW378.52 g/mol
LogP3.59
Rot. Bonds5

About 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine

4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 130328936) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID130328936
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESC/C=C\c1ncc(CN2CCC(c3cc(C)nc(N4CCCC4)n3)CC2)cn1
InChIInChI=1S/C22H30N6/c1-3-6-21-23-14-18(15-24-21)16-27-11-7-19(8-12-27)20-13-17(2)25-22(26-20)28-9-4-5-10-28/h3,6,13-15,19H,4-5,7-12,16H2,1-2H3/b6-3-
InChIKeyOAUGRIDBGIPTOI-UTCJRWHESA-N
XLogP3.59
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine (CID 130328936) is 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine is C/C=C\c1ncc(CN2CCC(c3cc(C)nc(N4CCCC4)n3)CC2)cn1.
What is the InChIKey of 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is OAUGRIDBGIPTOI-UTCJRWHESA-N. The full InChI is InChI=1S/C22H30N6/c1-3-6-21-23-14-18(15-24-21)16-27-11-7-19(8-12-27)20-13-17(2)25-22(26-20)28-9-4-5-10-28/h3,6,13-15,19H,4-5,7-12,16H2,1-2H3/b6-3-.
What are the key properties of 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine?
4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 378.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 130328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).