5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

C18H26N6O — CID 99931126

IUPAC5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)n(C2CN(Cc3cnc(NC[C@H]4CCCO4)nc3)C2)n1
InChIInChI=1S/C18H26N6O/c1-13-6-14(2)24(22-13)16-11-23(12-16)10-15-7-19-18(20-8-15)21-9-17-4-3-5-25-17/h6-8,16-17H,3-5,9-12H2,1-2H3,(H,19,20,21)/t17-/m1/s1
InChIKeyGNQQYWCIEDNGJE-QGZVFWFLSA-N
MW342.45 g/mol
LogP1.94
Rot. Bonds6

About 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine

5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (PubChem CID 99931126) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
PubChem CID99931126
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)n(C2CN(Cc3cnc(NC[C@H]4CCCO4)nc3)C2)n1
InChIInChI=1S/C18H26N6O/c1-13-6-14(2)24(22-13)16-11-23(12-16)10-15-7-19-18(20-8-15)21-9-17-4-3-5-25-17/h6-8,16-17H,3-5,9-12H2,1-2H3,(H,19,20,21)/t17-/m1/s1
InChIKeyGNQQYWCIEDNGJE-QGZVFWFLSA-N
XLogP1.94
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99941314
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930314
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930315
5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 135119831
5-[[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99948728
N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
CID 72887651
5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930888
[1-ethyl-5-[[2-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanol
CID 99930900
5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 154904060
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926
5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 77096682

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine (CID 99931126) is 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is Cc1cc(C)n(C2CN(Cc3cnc(NC[C@H]4CCCO4)nc3)C2)n1.
What is the InChIKey of 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is GNQQYWCIEDNGJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-6-14(2)24(22-13)16-11-23(12-16)10-15-7-19-18(20-8-15)21-9-17-4-3-5-25-17/h6-8,16-17H,3-5,9-12H2,1-2H3,(H,19,20,21)/t17-/m1/s1.
What are the key properties of 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine?
5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 342.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99931126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).