4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol

C14H19BrN4O — CID 151847996

IUPAC4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol
SMILESCc1nc(N)nc2c1C=C(Br)CN2C1CCC(O)CC1
InChIInChI=1S/C14H19BrN4O/c1-8-12-6-9(15)7-19(13(12)18-14(16)17-8)10-2-4-11(20)5-3-10/h6,10-11,20H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeySIBLDMRSVBUIHP-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.23
Rot. Bonds1

About 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol

4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol (PubChem CID 151847996) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol
PubChem CID151847996
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol
SMILESCc1nc(N)nc2c1C=C(Br)CN2C1CCC(O)CC1
InChIInChI=1S/C14H19BrN4O/c1-8-12-6-9(15)7-19(13(12)18-14(16)17-8)10-2-4-11(20)5-3-10/h6,10-11,20H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeySIBLDMRSVBUIHP-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-bromo-8-(cis-4-(2-hydroxyethoxy)cyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 25032304
2-amino-6-bromo-8-(trans-4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258949
2-Amino-6-bromo-8-(trans-4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258963
2-Amino-8-(trans-4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258864
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
CID 69009238
2-amino-8-(4-hydroxycyclohexyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-8-ium-7-one bromide
CID 87319635
6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123434019
2-amino-6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123576710
6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123850541
8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 137384082
6-bromo-N-cyclohexyl-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141182786
2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol
CID 141201576

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol (CID 151847996) is 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol is Cc1nc(N)nc2c1C=C(Br)CN2C1CCC(O)CC1.
What is the InChIKey of 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol?
The InChIKey is SIBLDMRSVBUIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-8-12-6-9(15)7-19(13(12)18-14(16)17-8)10-2-4-11(20)5-3-10/h6,10-11,20H,2-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol?
4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol has a molecular weight of 339.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-bromo-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl)cyclohexan-1-ol is sourced from PubChem (CID 151847996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).