2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol

C11H17N3O3 — CID 114008881

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ncnc2c1CCC2
InChIInChI=1S/C11H17N3O3/c15-4-11(5-16,6-17)14-10-8-2-1-3-9(8)12-7-13-10/h7,15-17H,1-6H2,(H,12,13,14)
InChIKeyFRZUELQTDYUTJL-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.91
Rot. Bonds5

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 114008881) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID114008881
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1ncnc2c1CCC2
InChIInChI=1S/C11H17N3O3/c15-4-11(5-16,6-17)14-10-8-2-1-3-9(8)12-7-13-10/h7,15-17H,1-6H2,(H,12,13,14)
InChIKeyFRZUELQTDYUTJL-UHFFFAOYSA-N
XLogP-0.91
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,2-difluoropropan-1-ol
CID 104858582
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284029
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62833166
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol
CID 113231443
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114131288

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol (CID 114008881) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)Nc1ncnc2c1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is FRZUELQTDYUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-4-11(5-16,6-17)14-10-8-2-1-3-9(8)12-7-13-10/h7,15-17H,1-6H2,(H,12,13,14).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 239.27 g/mol, XLogP of -0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 114008881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).