6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol

C15H23BrN4O — CID 123850541

IUPAC6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCc1nc(NCC(C)C)nc2c1C=C(Br)C(O)N2C(C)C
InChIInChI=1S/C15H23BrN4O/c1-8(2)7-17-15-18-10(5)11-6-12(16)14(21)20(9(3)4)13(11)19-15/h6,8-9,14,21H,7H2,1-5H3,(H,17,18,19)
InChIKeyYVSUAYRQOHLKQG-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.14
Rot. Bonds4

About 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol

6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 123850541) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID123850541
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCc1nc(NCC(C)C)nc2c1C=C(Br)C(O)N2C(C)C
InChIInChI=1S/C15H23BrN4O/c1-8(2)7-17-15-18-10(5)11-6-12(16)14(21)20(9(3)4)13(11)19-15/h6,8-9,14,21H,7H2,1-5H3,(H,17,18,19)
InChIKeyYVSUAYRQOHLKQG-UHFFFAOYSA-N
XLogP3.14
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 16124587
6-Bromo-2-(ethylamino)-8-(2-hydroxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124588
N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 67389320
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
CID 69009238
6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69009692
6-bromo-N-ethyl-8-(3-methoxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010230
6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010542
6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69013805
(E)-2-bromo-3-[2-[3-(dimethylamino)propylamino]-4-[ethyl(methyl)amino]-6-methylpyrimidin-5-yl]prop-2-enal
CID 88947430
6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123189410
6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123434019
2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123471821

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 123850541) is 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol is Cc1nc(NCC(C)C)nc2c1C=C(Br)C(O)N2C(C)C.
What is the InChIKey of 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is YVSUAYRQOHLKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-8(2)7-17-15-18-10(5)11-6-12(16)14(21)20(9(3)4)13(11)19-15/h6,8-9,14,21H,7H2,1-5H3,(H,17,18,19).
What are the key properties of 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol?
6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 355.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 123850541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).