1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol

C14H24N6O — CID 70968585

IUPAC1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol
SMILESCC(O)C1CCc2c(nc(N)nc2N2CCN(C)CC2)N1
InChIInChI=1S/C14H24N6O/c1-9(21)11-4-3-10-12(16-11)17-14(15)18-13(10)20-7-5-19(2)6-8-20/h9,11,21H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyNFKQJRUNMWAXRG-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.08
Rot. Bonds2

About 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol

1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 70968585) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol
PubChem CID70968585
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol
SMILESCC(O)C1CCc2c(nc(N)nc2N2CCN(C)CC2)N1
InChIInChI=1S/C14H24N6O/c1-9(21)11-4-3-10-12(16-11)17-14(15)18-13(10)20-7-5-19(2)6-8-20/h9,11,21H,3-8H2,1-2H3,(H3,15,16,17,18)
InChIKeyNFKQJRUNMWAXRG-UHFFFAOYSA-N
XLogP-0.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol (CID 70968585) is 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol is CC(O)C1CCc2c(nc(N)nc2N2CCN(C)CC2)N1.
What is the InChIKey of 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol?
The InChIKey is NFKQJRUNMWAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-9(21)11-4-3-10-12(16-11)17-14(15)18-13(10)20-7-5-19(2)6-8-20/h9,11,21H,3-8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol?
1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 292.39 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 70968585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).