N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride

C11H14ClN5 — CID 3071749

IUPACN-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride
SMILESCN(c1ccnc(-n2ccnc2)n1)C1CC1.Cl
InChIInChI=1S/C11H13N5.ClH/c1-15(9-2-3-9)10-4-5-13-11(14-10)16-7-6-12-8-16;/h4-9H,2-3H2,1H3;1H
InChIKeyVCQHGROUBAFGBR-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.68
Rot. Bonds3

About N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride

N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride (PubChem CID 3071749) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride
PubChem CID3071749
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride
SMILESCN(c1ccnc(-n2ccnc2)n1)C1CC1.Cl
InChIInChI=1S/C11H13N5.ClH/c1-15(9-2-3-9)10-4-5-13-11(14-10)16-7-6-12-8-16;/h4-9H,2-3H2,1H3;1H
InChIKeyVCQHGROUBAFGBR-UHFFFAOYSA-N
XLogP1.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
1-Ethyl-3-(6-imidazol-1-ylpyrimidin-4-yl)thiourea
CID 134150613
4-Chloro-6-(1H-imidazol-1-yl)pyrimidine
CID 2757612
4-chloro-2-(1H-imidazol-1-yl)pyrimidine
CID 10607483
2-Chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 10773821
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
1-Ethyl-3-(4-imidazol-1-ylpyrimidin-2-yl)thiourea
CID 134150693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride (CID 3071749) is N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride is CN(c1ccnc(-n2ccnc2)n1)C1CC1.Cl.
What is the InChIKey of N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is VCQHGROUBAFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.ClH/c1-15(9-2-3-9)10-4-5-13-11(14-10)16-7-6-12-8-16;/h4-9H,2-3H2,1H3;1H.
What are the key properties of N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride?
N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-imidazol-1-yl-N-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 3071749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).