6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol

C13H19BrN4O2 — CID 123434019

IUPAC6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCO)C(O)C(Br)=C2
InChIInChI=1S/C13H19BrN4O2/c1-3-15-13-16-8(2)9-7-10(14)12(20)18(5-4-6-19)11(9)17-13/h7,12,19-20H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyKHZAYSFDIATLHR-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.47
Rot. Bonds5

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

6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 123434019) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID123434019
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCO)C(O)C(Br)=C2
InChIInChI=1S/C13H19BrN4O2/c1-3-15-13-16-8(2)9-7-10(14)12(20)18(5-4-6-19)11(9)17-13/h7,12,19-20H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyKHZAYSFDIATLHR-UHFFFAOYSA-N
XLogP1.47
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Bromo-2-(ethylamino)-8-(3-methoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 16124582
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
6-Bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 57448431
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 123434019) is 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is CCNc1nc(C)c2c(n1)N(CCCO)C(O)C(Br)=C2.
What is the InChIKey of 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is KHZAYSFDIATLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-3-15-13-16-8(2)9-7-10(14)12(20)18(5-4-6-19)11(9)17-13/h7,12,19-20H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 343.23 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 123434019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).