(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol

C14H22N4O2 — CID 58158406

IUPAC(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol
SMILESCC[C@@H](O)[C@@H](CO)N(C)CC1=CCc2c(N)ncnc21
InChIInChI=1S/C14H22N4O2/c1-3-12(20)11(7-19)18(2)6-9-4-5-10-13(9)16-8-17-14(10)15/h4,8,11-12,19-20H,3,5-7H2,1-2H3,(H2,15,16,17)/t11-,12-/m1/s1
InChIKeyICVYZHSDGWTONQ-VXGBXAGGSA-N
MW278.36 g/mol
LogP0.06
Rot. Bonds6

About (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol

(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol (PubChem CID 58158406) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol
PubChem CID58158406
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol
SMILESCC[C@@H](O)[C@@H](CO)N(C)CC1=CCc2c(N)ncnc21
InChIInChI=1S/C14H22N4O2/c1-3-12(20)11(7-19)18(2)6-9-4-5-10-13(9)16-8-17-14(10)15/h4,8,11-12,19-20H,3,5-7H2,1-2H3,(H2,15,16,17)/t11-,12-/m1/s1
InChIKeyICVYZHSDGWTONQ-VXGBXAGGSA-N
XLogP0.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol?
The IUPAC name of (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol (CID 58158406) is (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol is CC[C@@H](O)[C@@H](CO)N(C)CC1=CCc2c(N)ncnc21.
What is the InChIKey of (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol?
The InChIKey is ICVYZHSDGWTONQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-12(20)11(7-19)18(2)6-9-4-5-10-13(9)16-8-17-14(10)15/h4,8,11-12,19-20H,3,5-7H2,1-2H3,(H2,15,16,17)/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol?
(2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol has a molecular weight of 278.36 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl-methylamino]pentane-1,3-diol is sourced from PubChem (CID 58158406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).