6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine

C19H24N6 — CID 91787968

IUPAC6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CCn1ccc2ccccc21)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C19H24N6/c1-24(8-9-25-7-6-13-4-2-3-5-17(13)25)18-12-16(22-19(21)23-18)14-10-15(20)11-14/h2-7,12,14-15H,8-11,20H2,1H3,(H2,21,22,23)
InChIKeyZWPPTIGNKQWCFE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.35
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91787968) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID91787968
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(CCn1ccc2ccccc21)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C19H24N6/c1-24(8-9-25-7-6-13-4-2-3-5-17(13)25)18-12-16(22-19(21)23-18)14-10-15(20)11-14/h2-7,12,14-15H,8-11,20H2,1H3,(H2,21,22,23)
InChIKeyZWPPTIGNKQWCFE-UHFFFAOYSA-N
XLogP2.35
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902343
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902244
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 91795368
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91789045
6-(3-aminocyclobutyl)-4-N-[(5-chloro-2-ethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902027
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine (CID 91787968) is 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine is CN(CCn1ccc2ccccc21)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is ZWPPTIGNKQWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24(8-9-25-7-6-13-4-2-3-5-17(13)25)18-12-16(22-19(21)23-18)14-10-15(20)11-14/h2-7,12,14-15H,8-11,20H2,1H3,(H2,21,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).