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

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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).