6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine

C20H24N6 — CID 91771660

IUPAC6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)nc(C2CC2)n1
InChIInChI=1S/C20H24N6/c1-26(11-18-22-15-4-2-3-5-16(15)23-18)19-10-17(13-8-14(21)9-13)24-20(25-19)12-6-7-12/h2-5,10,12-14H,6-9,11,21H2,1H3,(H,22,23)
InChIKeyXPIMPDOZKGWKHW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.07
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine

6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 91771660) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID91771660
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)nc(C2CC2)n1
InChIInChI=1S/C20H24N6/c1-26(11-18-22-15-4-2-3-5-16(15)23-18)19-10-17(13-8-14(21)9-13)24-20(25-19)12-6-7-12/h2-5,10,12-14H,6-9,11,21H2,1H3,(H,22,23)
InChIKeyXPIMPDOZKGWKHW-UHFFFAOYSA-N
XLogP3.07
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902450
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one
CID 136664824
2-[[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154902812
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91771582
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpyrimidin-4-amine;dihydrochloride
CID 154902493
6-(3-aminocyclobutyl)-2-cyclopropyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901979
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-methyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154903388
6-(3-aminocyclobutyl)-4-N-[3-(1H-benzimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 91763313
6-(3-aminocyclobutyl)-N-methyl-N-(quinolin-3-ylmethyl)pyrimidin-4-amine
CID 91791964
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 91771660) is 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine is CN(Cc1nc2ccccc2[nH]1)c1cc(C2CC(N)C2)nc(C2CC2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is XPIMPDOZKGWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-26(11-18-22-15-4-2-3-5-16(15)23-18)19-10-17(13-8-14(21)9-13)24-20(25-19)12-6-7-12/h2-5,10,12-14H,6-9,11,21H2,1H3,(H,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 91771660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).