2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

C15H21N5O — CID 112899999

IUPAC2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NC3CCCCCC3)n2)no1
InChIInChI=1S/C15H21N5O/c1-11-10-14(20-21-11)18-13-8-9-16-15(19-13)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyHGLBJIIYZCGHLC-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.65
Rot. Bonds4

About 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112899999) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112899999
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NC3CCCCCC3)n2)no1
InChIInChI=1S/C15H21N5O/c1-11-10-14(20-21-11)18-13-8-9-16-15(19-13)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,16,17,18,19,20)
InChIKeyHGLBJIIYZCGHLC-UHFFFAOYSA-N
XLogP3.65
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902014
4-N-(3-bromo-4-methylphenyl)-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112885012
3-N-cyclopropyl-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112939479
4-N-cyclopentyl-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934408
2-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112906657
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884414
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889963
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929

Frequently Asked Questions

What is the IUPAC name of 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112899999) is 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(NC3CCCCCC3)n2)no1.
What is the InChIKey of 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is HGLBJIIYZCGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-10-14(20-21-11)18-13-8-9-16-15(19-13)17-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 287.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).