N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C15H21N5O — CID 126427543

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(CCNc2cc([C@H]3CCOC3)ncn2)n1
InChIInChI=1S/C15H21N5O/c1-11-7-12(2)20(19-11)5-4-16-15-8-14(17-10-18-15)13-3-6-21-9-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyAYUDKQVRNOFELA-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126427543) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126427543
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cc(C)n(CCNc2cc([C@H]3CCOC3)ncn2)n1
InChIInChI=1S/C15H21N5O/c1-11-7-12(2)20(19-11)5-4-16-15-8-14(17-10-18-15)13-3-6-21-9-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1
InChIKeyAYUDKQVRNOFELA-ZDUSSCGKSA-N
XLogP1.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
6-[(3S)-oxolan-3-yl]-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 126444749
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125170663
N-[2-(2-methylphenyl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126453717
N-(3-methyl-4-pyridinyl)-N'-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 126452694
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
CID 72919979
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125170815
6-[(3S)-oxolan-3-yl]-N-(3-phenylpropyl)pyrimidin-4-amine
CID 126447609
N'-[(3-cyclopropylimidazol-4-yl)methyl]-N'-methyl-N-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]ethane-1,2-diamine
CID 125177015

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126427543) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1cc(C)n(CCNc2cc([C@H]3CCOC3)ncn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is AYUDKQVRNOFELA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-7-12(2)20(19-11)5-4-16-15-8-14(17-10-18-15)13-3-6-21-9-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126427543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).