3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol

C18H24N4O2 — CID 91787964

IUPAC3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccc(CCCNc2cc(C3CC(O)C3)nc(N)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-15-6-4-12(5-7-15)3-2-8-20-17-11-16(21-18(19)22-17)13-9-14(23)10-13/h4-7,11,13-14,23H,2-3,8-10H2,1H3,(H3,19,20,21,22)
InChIKeyNXDFNJODQZOHLM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds7

About 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787964) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787964
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccc(CCCNc2cc(C3CC(O)C3)nc(N)n2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-15-6-4-12(5-7-15)3-2-8-20-17-11-16(21-18(19)22-17)13-9-14(23)10-13/h4-7,11,13-14,23H,2-3,8-10H2,1H3,(H3,19,20,21,22)
InChIKeyNXDFNJODQZOHLM-UHFFFAOYSA-N
XLogP2.35
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91793673
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91779527
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785701

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787964) is 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol is COc1ccc(CCCNc2cc(C3CC(O)C3)nc(N)n2)cc1.
What is the InChIKey of 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is NXDFNJODQZOHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-15-6-4-12(5-7-15)3-2-8-20-17-11-16(21-18(19)22-17)13-9-14(23)10-13/h4-7,11,13-14,23H,2-3,8-10H2,1H3,(H3,19,20,21,22).
What are the key properties of 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 328.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).