N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C15H21N5O — CID 126430489

IUPACN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCN(CCc1cnn(C)c1)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O/c1-19(5-3-12-8-18-20(2)9-12)15-7-14(16-11-17-15)13-4-6-21-10-13/h7-9,11,13H,3-6,10H2,1-2H3/t13-/m0/s1
InChIKeyHSCUJXAJUJADGN-ZDUSSCGKSA-N
MW287.37 g/mol
LogP1.39
Rot. Bonds5

About N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126430489) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126430489
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCN(CCc1cnn(C)c1)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H21N5O/c1-19(5-3-12-8-18-20(2)9-12)15-7-14(16-11-17-15)13-4-6-21-10-13/h7-9,11,13H,3-6,10H2,1-2H3/t13-/m0/s1
InChIKeyHSCUJXAJUJADGN-ZDUSSCGKSA-N
XLogP1.39
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126430489) is N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is CN(CCc1cnn(C)c1)c1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is HSCUJXAJUJADGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(5-3-12-8-18-20(2)9-12)15-7-14(16-11-17-15)13-4-6-21-10-13/h7-9,11,13H,3-6,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126430489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).