N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine

C12H17N5 — CID 133376553

IUPACN-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)CCCn2ccnc2)n1
InChIInChI=1S/C12H17N5/c1-11-4-5-14-12(15-11)16(2)7-3-8-17-9-6-13-10-17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyNBBOJMZGTONEOC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.51
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine

N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 133376553) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID133376553
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)CCCn2ccnc2)n1
InChIInChI=1S/C12H17N5/c1-11-4-5-14-12(15-11)16(2)7-3-8-17-9-6-13-10-17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyNBBOJMZGTONEOC-UHFFFAOYSA-N
XLogP1.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 133309491
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
CID 99841114
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
CID 133472744
8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile
CID 133376519
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
CID 72854089
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine (CID 133376553) is N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)CCCn2ccnc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is NBBOJMZGTONEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-11-4-5-14-12(15-11)16(2)7-3-8-17-9-6-13-10-17/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine?
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).