N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine

C15H18N6O2 — CID 145257094

IUPACN-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
SMILESCNc1nc(O[C@H]2CCOC2)c2c(ccn2-c2cnn(C)c2)n1
InChIInChI=1S/C15H18N6O2/c1-16-15-18-12-3-5-21(10-7-17-20(2)8-10)13(12)14(19-15)23-11-4-6-22-9-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,16,18,19)/t11-/m0/s1
InChIKeyUEXFGOXLDFTTRE-NSHDSACASA-N
MW314.35 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine

N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 145257094) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID145257094
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
SMILESCNc1nc(O[C@H]2CCOC2)c2c(ccn2-c2cnn(C)c2)n1
InChIInChI=1S/C15H18N6O2/c1-16-15-18-12-3-5-21(10-7-17-20(2)8-10)13(12)14(19-15)23-11-4-6-22-9-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,16,18,19)/t11-/m0/s1
InChIKeyUEXFGOXLDFTTRE-NSHDSACASA-N
XLogP1.36
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
CID 135129317
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-phenylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129208
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidine
CID 159454780
N-cyclopropyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129104
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-3H-dithiole-3-carboxamide
CID 154827158
[5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophen-3-yl]-thiomorpholin-4-ylmethanone
CID 135129236
5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 158668814
N-ethyl-4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 145257167
3-methyl-N-[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine
CID 135129144
4-[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]oxythiane 1,1-dioxide
CID 157358482
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129117

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine (CID 145257094) is N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine is CNc1nc(O[C@H]2CCOC2)c2c(ccn2-c2cnn(C)c2)n1.
What is the InChIKey of N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is UEXFGOXLDFTTRE-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N6O2/c1-16-15-18-12-3-5-21(10-7-17-20(2)8-10)13(12)14(19-15)23-11-4-6-22-9-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,16,18,19)/t11-/m0/s1.
What are the key properties of N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 314.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 145257094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).