2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol

C16H20N4O2 — CID 166223233

IUPAC2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol
SMILESCC(O)(CO)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C16H20N4O2/c1-16(22,10-21)9-18-15-12-5-2-6-13(12)19-14(20-15)11-4-3-7-17-8-11/h3-4,7-8,21-22H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyOAASBHODXSBCRN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.18
Rot. Bonds5

About 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol

2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 166223233) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID166223233
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol
SMILESCC(O)(CO)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C16H20N4O2/c1-16(22,10-21)9-18-15-12-5-2-6-13(12)19-14(20-15)11-4-3-7-17-8-11/h3-4,7-8,21-22H,2,5-6,9-10H2,1H3,(H,18,19,20)
InChIKeyOAASBHODXSBCRN-UHFFFAOYSA-N
XLogP1.18
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol (CID 166223233) is 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol is CC(O)(CO)CNc1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is OAASBHODXSBCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(22,10-21)9-18-15-12-5-2-6-13(12)19-14(20-15)11-4-3-7-17-8-11/h3-4,7-8,21-22H,2,5-6,9-10H2,1H3,(H,18,19,20).
What are the key properties of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol?
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 300.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 166223233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).