2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

C14H18N6O2 — CID 91961876

IUPAC2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2cc(C)on2)c2c(n1)NC(C(C)C)C(=O)N2
InChIInChI=1S/C14H18N6O2/c1-6(2)10-14(21)19-11-12(15-8(4)16-13(11)18-10)17-9-5-7(3)22-20-9/h5-6,10H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyOOQOLAPUBZRYSQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961876) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961876
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCc1nc(Nc2cc(C)on2)c2c(n1)NC(C(C)C)C(=O)N2
InChIInChI=1S/C14H18N6O2/c1-6(2)10-14(21)19-11-12(15-8(4)16-13(11)18-10)17-9-5-7(3)22-20-9/h5-6,10H,1-4H3,(H,19,21)(H2,15,16,17,18,20)
InChIKeyOOQOLAPUBZRYSQ-UHFFFAOYSA-N
XLogP2.21
TPSA104.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961867
2-methyl-7-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-5H-pteridin-6-one
CID 91961989
4-(4-morpholin-4-ylanilino)-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
CID 91961610
5,5-dimethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]cyclohex-2-en-1-one
CID 139068863
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
5-methyl-N-(2-methylpropyl)-1,2-oxazol-3-amine
CID 59569080
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,3-diamine
CID 82059672
4-[(1,1-dioxothiolan-3-yl)amino]-2,7-dimethyl-7,8-dihydro-5H-pteridin-6-one
CID 91961803
2,4,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 110865581
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867831
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (CID 91961876) is 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is Cc1nc(Nc2cc(C)on2)c2c(n1)NC(C(C)C)C(=O)N2.
What is the InChIKey of 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is OOQOLAPUBZRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-6(2)10-14(21)19-11-12(15-8(4)16-13(11)18-10)17-9-5-7(3)22-20-9/h5-6,10H,1-4H3,(H,19,21)(H2,15,16,17,18,20).
What are the key properties of 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 302.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)amino]-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).