4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine

C18H29N7O — CID 72919432

IUPAC4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)nc(N)n1
InChIInChI=1S/C18H29N7O/c1-23(2)8-4-9-25-12-7-20-17(25)14-5-10-24(11-6-14)15-13-16(26-3)22-18(19)21-15/h7,12-14H,4-6,8-11H2,1-3H3,(H2,19,21,22)
InChIKeyXXCWKWJQAVUJAV-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.60
Rot. Bonds7

About 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 72919432) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID72919432
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)nc(N)n1
InChIInChI=1S/C18H29N7O/c1-23(2)8-4-9-25-12-7-20-17(25)14-5-10-24(11-6-14)15-13-16(26-3)22-18(19)21-15/h7,12-14H,4-6,8-11H2,1-3H3,(H2,19,21,22)
InChIKeyXXCWKWJQAVUJAV-UHFFFAOYSA-N
XLogP1.60
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 72919432) is 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)nc(N)n1.
What is the InChIKey of 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is XXCWKWJQAVUJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-23(2)8-4-9-25-12-7-20-17(25)14-5-10-24(11-6-14)15-13-16(26-3)22-18(19)21-15/h7,12-14H,4-6,8-11H2,1-3H3,(H2,19,21,22).
What are the key properties of 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 72919432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).