6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride

C16H25Cl2N5O — CID 154903401

IUPAC6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCC(C)Cc1cc(CNc2cc(C3CC(N)C3)ncn2)on1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(2)3-13-6-14(22-21-13)8-18-16-7-15(19-9-20-16)11-4-12(17)5-11;;/h6-7,9-12H,3-5,8,17H2,1-2H3,(H,18,19,20);2*1H
InChIKeyUWGMBANCGASWKH-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.32
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154903401) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154903401
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCC(C)Cc1cc(CNc2cc(C3CC(N)C3)ncn2)on1.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(2)3-13-6-14(22-21-13)8-18-16-7-15(19-9-20-16)11-4-12(17)5-11;;/h6-7,9-12H,3-5,8,17H2,1-2H3,(H,18,19,20);2*1H
InChIKeyUWGMBANCGASWKH-UHFFFAOYSA-N
XLogP3.32
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride with MolForge

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Related Compounds

4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine
CID 39808954
1-(6-isopropyl-2-methylpyrimidin-4-yl)-N-[(3-propylisoxazol-5-yl)methyl]piperidin-4-amine
CID 72863779
1-(4,6-dimethylpyrimidin-2-yl)-N-[(3-propylisoxazol-5-yl)methyl]piperidin-4-amine
CID 72900193
4-Methyl-6-(4-{[(3-propylisoxazol-5-yl)methyl]amino}piperidin-1-yl)pyrimidin-2-amine
CID 72937517
6-(cis-3-aminocyclobutyl)-N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-2-(methoxymethyl)-4-pyrimidinamine dihydrochloride
CID 91761242
6-(trans-3-aminocyclobutyl)-N~4~-methyl-N~4~-[(5-methyl-3-isoxazolyl)methyl]-2,4-pyrimidinediamine dihydrochloride
CID 91795368
N~4~-[(5-isopropylisoxazol-3-yl)methyl]-N~2~,N~2~,6-trimethylpyrimidine-2,4-diamine
CID 50969390
N~4~-[(3-propylisoxazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72869114
6-(cis-3-aminocyclobutyl)-N-[(3-isopropylisoxazol-5-yl)methyl]-N-methylpyrimidin-4-amine
CID 91766459
(3S)-1-[2-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95124014
N-[(3-isobutylisoxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 124214203
1-(3-isobutylisoxazol-5-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 131900857

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride (CID 154903401) is 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride is CC(C)Cc1cc(CNc2cc(C3CC(N)C3)ncn2)on1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is UWGMBANCGASWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-10(2)3-13-6-14(22-21-13)8-18-16-7-15(19-9-20-16)11-4-12(17)5-11;;/h6-7,9-12H,3-5,8,17H2,1-2H3,(H,18,19,20);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154903401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).