3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol

C13H19N3O2 — CID 107269634

IUPAC3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc2c1CCC2
InChIInChI=1S/C13H19N3O2/c1-9-13(17,5-6-18-9)7-14-12-10-3-2-4-11(10)15-8-16-12/h8-9,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyWPNSOKJVUBXNIU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.92
Rot. Bonds3

About 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol

3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 107269634) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
PubChem CID107269634
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ncnc2c1CCC2
InChIInChI=1S/C13H19N3O2/c1-9-13(17,5-6-18-9)7-14-12-10-3-2-4-11(10)15-8-16-12/h8-9,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyWPNSOKJVUBXNIU-UHFFFAOYSA-N
XLogP0.92
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 63184263
3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103523
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
3-[[[5-bromo-6-(propylamino)pyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103575
N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103736761
3-[[(6-amino-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103547
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
CID 115438767
3-[[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106102324
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol (CID 107269634) is 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ncnc2c1CCC2.
What is the InChIKey of 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is WPNSOKJVUBXNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-13(17,5-6-18-9)7-14-12-10-3-2-4-11(10)15-8-16-12/h8-9,17H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol?
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 249.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107269634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).