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

C13H22N6O — CID 143856631

IUPAC[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol
SMILESCN1CCN(c2nc(N)nc3c2CCC(CO)N3)CC1
InChIInChI=1S/C13H22N6O/c1-18-4-6-19(7-5-18)12-10-3-2-9(8-20)15-11(10)16-13(14)17-12/h9,20H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyFFXKXINKVFVJOM-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.47
Rot. Bonds2

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

[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol (PubChem CID 143856631) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol
PubChem CID143856631
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol
SMILESCN1CCN(c2nc(N)nc3c2CCC(CO)N3)CC1
InChIInChI=1S/C13H22N6O/c1-18-4-6-19(7-5-18)12-10-3-2-9(8-20)15-11(10)16-13(14)17-12/h9,20H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyFFXKXINKVFVJOM-UHFFFAOYSA-N
XLogP-0.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol?
The IUPAC name of [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol (CID 143856631) is [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol.
What is the SMILES notation for [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol?
The canonical SMILES for [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol is CN1CCN(c2nc(N)nc3c2CCC(CO)N3)CC1.
What is the InChIKey of [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol?
The InChIKey is FFXKXINKVFVJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-18-4-6-19(7-5-18)12-10-3-2-9(8-20)15-11(10)16-13(14)17-12/h9,20H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol?
[2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-7-yl]methanol is sourced from PubChem (CID 143856631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).