(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol

C15H23N3O3 — CID 167870410

IUPAC(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)Oc1ccnc(N[C@@H]2C[C@@H](O)C23CCOCC3)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-3-6-16-14(18-13)17-11-9-12(19)15(11)4-7-20-8-5-15/h3,6,10-12,19H,4-5,7-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyRAWMZMKSIWAPFQ-VXGBXAGGSA-N
MW293.37 g/mol
LogP1.61
Rot. Bonds4

About (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol

(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol (PubChem CID 167870410) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol.

Molecular Properties

Compound Name(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
PubChem CID167870410
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
SMILESCC(C)Oc1ccnc(N[C@@H]2C[C@@H](O)C23CCOCC3)n1
InChIInChI=1S/C15H23N3O3/c1-10(2)21-13-3-6-16-14(18-13)17-11-9-12(19)15(11)4-7-20-8-5-15/h3,6,10-12,19H,4-5,7-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyRAWMZMKSIWAPFQ-VXGBXAGGSA-N
XLogP1.61
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methyloxolan-3-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638391
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 114108395
N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 104762705
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
N-[(4S)-4-methoxypyrrolidin-3-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 113357061
4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide
CID 167957813
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541
(1R,3R)-1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]amino]-7-oxaspiro[3.5]nonan-3-ol
CID 167789226
[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974965
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione
CID 112638088
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol?
The IUPAC name of (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol (CID 167870410) is (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol.
What is the SMILES notation for (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol?
The canonical SMILES for (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol is CC(C)Oc1ccnc(N[C@@H]2C[C@@H](O)C23CCOCC3)n1.
What is the InChIKey of (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol?
The InChIKey is RAWMZMKSIWAPFQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)21-13-3-6-16-14(18-13)17-11-9-12(19)15(11)4-7-20-8-5-15/h3,6,10-12,19H,4-5,7-9H2,1-2H3,(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol?
(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol has a molecular weight of 293.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol is sourced from PubChem (CID 167870410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).