N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine

C12H17N5 — CID 72881255

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCN(CCCc1nccn1C)c1ccncn1
InChIInChI=1S/C12H17N5/c1-16(12-5-6-13-10-15-12)8-3-4-11-14-7-9-17(11)2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyQYRQIGXBKFZEKM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds5

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 72881255) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID72881255
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCN(CCCc1nccn1C)c1ccncn1
InChIInChI=1S/C12H17N5/c1-16(12-5-6-13-10-15-12)8-3-4-11-14-7-9-17(11)2/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyQYRQIGXBKFZEKM-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
N,2-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]-6-propan-2-ylpyrimidin-4-amine
CID 50950043
5-ethyl-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-2-amine
CID 72851312
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74235815
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
2-N,5-dimethyl-2-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 46997101
2-[2-[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70736552
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine (CID 72881255) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine is CN(CCCc1nccn1C)c1ccncn1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is QYRQIGXBKFZEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(12-5-6-13-10-15-12)8-3-4-11-14-7-9-17(11)2/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 72881255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).