6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine

C16H26N8 — CID 72936414

IUPAC6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)CCn1ccnc1C1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C16H26N8/c1-22(2)9-10-24-8-5-19-15(24)12-3-6-23(7-4-12)14-11-13(17)20-16(18)21-14/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H4,17,18,20,21)
InChIKeyCFCUPINMXSQQJL-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.78
Rot. Bonds5

About 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine

6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 72936414) has the molecular formula C16H26N8 and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine
PubChem CID72936414
Molecular FormulaC16H26N8
Molecular Weight330.44 g/mol
Exact Mass330.23
IUPAC Name6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)CCn1ccnc1C1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C16H26N8/c1-22(2)9-10-24-8-5-19-15(24)12-3-6-23(7-4-12)14-11-13(17)20-16(18)21-14/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H4,17,18,20,21)
InChIKeyCFCUPINMXSQQJL-UHFFFAOYSA-N
XLogP0.78
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine (CID 72936414) is 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine is CN(C)CCn1ccnc1C1CCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is CFCUPINMXSQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8/c1-22(2)9-10-24-8-5-19-15(24)12-3-6-23(7-4-12)14-11-13(17)20-16(18)21-14/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H4,17,18,20,21).
What are the key properties of 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine?
6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72936414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).