(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol

C12H18N4O2 — CID 91782443

IUPAC(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C12H18N4O2/c13-12-14-10(7-3-9(18)4-7)5-11(15-12)16-2-1-8(17)6-16/h5,7-9,17-18H,1-4,6H2,(H2,13,14,15)/t7?,8-,9?/m1/s1
InChIKeyHPRZQTLIDXMDPC-QJAFJHJLSA-N
MW250.30 g/mol
LogP-0.13
Rot. Bonds2

About (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 91782443) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID91782443
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C12H18N4O2/c13-12-14-10(7-3-9(18)4-7)5-11(15-12)16-2-1-8(17)6-16/h5,7-9,17-18H,1-4,6H2,(H2,13,14,15)/t7?,8-,9?/m1/s1
InChIKeyHPRZQTLIDXMDPC-QJAFJHJLSA-N
XLogP-0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 91782443) is (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol is Nc1nc(C2CC(O)C2)cc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is HPRZQTLIDXMDPC-QJAFJHJLSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-12-14-10(7-3-9(18)4-7)5-11(15-12)16-2-1-8(17)6-16/h5,7-9,17-18H,1-4,6H2,(H2,13,14,15)/t7?,8-,9?/m1/s1.
What are the key properties of (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 250.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 91782443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).