N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine

C15H17N5 — CID 71983544

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
SMILESCn1c(CCCNc2ncccn2)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-20-13-7-3-2-6-12(13)19-14(20)8-4-9-16-15-17-10-5-11-18-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,16,17,18)
InChIKeyMFKZTMFJPLWCNR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.41
Rot. Bonds5

About N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine

N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine (PubChem CID 71983544) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
PubChem CID71983544
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
SMILESCn1c(CCCNc2ncccn2)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-20-13-7-3-2-6-12(13)19-14(20)8-4-9-16-15-17-10-5-11-18-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,16,17,18)
InChIKeyMFKZTMFJPLWCNR-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine (CID 71983544) is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine is Cn1c(CCCNc2ncccn2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is MFKZTMFJPLWCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20-13-7-3-2-6-12(13)19-14(20)8-4-9-16-15-17-10-5-11-18-15/h2-3,5-7,10-11H,4,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 267.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 71983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).