(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

C14H22N4O3 — CID 72844870

IUPAC(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCOc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)nc(N)n1
InChIInChI=1S/C14H22N4O3/c1-20-10-7-9(19)14(10)3-5-18(6-4-14)11-8-12(21-2)17-13(15)16-11/h8-10,19H,3-7H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyLESMHKZHEWTKRH-ZJUUUORDSA-N
MW294.36 g/mol
LogP0.43
Rot. Bonds3

About (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72844870) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID72844870
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCOc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)nc(N)n1
InChIInChI=1S/C14H22N4O3/c1-20-10-7-9(19)14(10)3-5-18(6-4-14)11-8-12(21-2)17-13(15)16-11/h8-10,19H,3-7H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1
InChIKeyLESMHKZHEWTKRH-ZJUUUORDSA-N
XLogP0.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-{[(2-Amino-6-methoxypyrimidin-4-yl)amino]methyl}cyclobutyl)methanol
CID 500508
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidin-3-OL
CID 50951061
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-4-(hydroxymethyl)-3-piperidinol
CID 56894006
(4S*)-4-(methoxymethyl)-1-(6-methoxypyrimidin-4-yl)-3,3-dimethylpiperidin-4-ol
CID 70729801
rel-(1R,3S)-3-[2-(dimethylamino)ethoxy]-7-(4-methoxy-2-pyrimidinyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 72857571
(1R*,3S*)-7-(2-amino-6-isopropoxy-4-pyrimidinyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
(4-{[(6-methoxypyrimidin-4-yl)(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 50969405
(1R,3S)-7-(6-aminopyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70719171
6-methoxy-N~4~-{[1-(methoxymethyl)cyclopentyl]methyl}pyrimidine-2,4-diamine
CID 122557698
(1-{[(2-Amino-6-methoxypyrimidin-4-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 132423754
(3S,4S)-4-ethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3,4-diol
CID 164639878
[(3S)-1-[2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]ethyl]piperidin-3-yl]methanol
CID 171358905

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol (CID 72844870) is (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is COc1cc(N2CCC3(CC2)[C@H](O)C[C@@H]3OC)nc(N)n1.
What is the InChIKey of (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is LESMHKZHEWTKRH-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-20-10-7-9(19)14(10)3-5-18(6-4-14)11-8-12(21-2)17-13(15)16-11/h8-10,19H,3-7H2,1-2H3,(H2,15,16,17)/t9-,10+/m1/s1.
What are the key properties of (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-7-(2-amino-6-methoxypyrimidin-4-yl)-3-methoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72844870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).