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

C17H27N7 — CID 72844111

IUPAC6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)CCCn1ccnc1C1CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C17H27N7/c1-22(2)7-4-9-23-10-6-19-17(23)14-5-3-8-24(12-14)16-11-15(18)20-13-21-16/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3,(H2,18,20,21)
InChIKeyNXIXETUGRPKULO-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.59
Rot. Bonds6

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

6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72844111) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID72844111
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)CCCn1ccnc1C1CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C17H27N7/c1-22(2)7-4-9-23-10-6-19-17(23)14-5-3-8-24(12-14)16-11-15(18)20-13-21-16/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3,(H2,18,20,21)
InChIKeyNXIXETUGRPKULO-UHFFFAOYSA-N
XLogP1.59
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72844111) is 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CN(C)CCCn1ccnc1C1CCCN(c2cc(N)ncn2)C1.
What is the InChIKey of 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is NXIXETUGRPKULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-22(2)7-4-9-23-10-6-19-17(23)14-5-3-8-24(12-14)16-11-15(18)20-13-21-16/h6,10-11,13-14H,3-5,7-9,12H2,1-2H3,(H2,18,20,21).
What are the key properties of 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72844111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).