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

C16H25N7 — CID 72873331

IUPAC6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)CCn1ccnc1C1CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C16H25N7/c1-21(2)8-9-22-7-5-18-16(22)13-4-3-6-23(11-13)15-10-14(17)19-12-20-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)
InChIKeySAUOYVTZFCMRMC-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.20
Rot. Bonds5

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

6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72873331) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID72873331
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)CCn1ccnc1C1CCCN(c2cc(N)ncn2)C1
InChIInChI=1S/C16H25N7/c1-21(2)8-9-22-7-5-18-16(22)13-4-3-6-23(11-13)15-10-14(17)19-12-20-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20)
InChIKeySAUOYVTZFCMRMC-UHFFFAOYSA-N
XLogP1.20
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 72873331) is 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CN(C)CCn1ccnc1C1CCCN(c2cc(N)ncn2)C1.
What is the InChIKey of 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SAUOYVTZFCMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-21(2)8-9-22-7-5-18-16(22)13-4-3-6-23(11-13)15-10-14(17)19-12-20-15/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3,(H2,17,19,20).
What are the key properties of 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 315.43 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72873331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).