6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine

C18H25N5 — CID 91789180

IUPAC6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCCCc2ccccc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C18H25N5/c19-15-10-14(11-15)16-12-17(23-18(20)22-16)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2,(H3,20,21,22,23)
InChIKeySEOKLONHINDRQS-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.70
Rot. Bonds7

About 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine (PubChem CID 91789180) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
PubChem CID91789180
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCCCc2ccccc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C18H25N5/c19-15-10-14(11-15)16-12-17(23-18(20)22-16)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2,(H3,20,21,22,23)
InChIKeySEOKLONHINDRQS-UHFFFAOYSA-N
XLogP2.70
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 91765713
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901843
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-[3-(1H-benzimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 91763313
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N-phenylpropanamide
CID 91791293
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine (CID 91789180) is 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine is Nc1nc(NCCCCc2ccccc2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine?
The InChIKey is SEOKLONHINDRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c19-15-10-14(11-15)16-12-17(23-18(20)22-16)21-9-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2,(H3,20,21,22,23).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91789180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).