N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine

C16H23N5O — CID 118778875

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1cc(C2CCOC2)ncn1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)4-6-21(3)16-8-15(17-10-18-16)13-5-7-22-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyOSZFIFQGUZOXHS-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 118778875) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID118778875
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1CCN(C)c1cc(C2CCOC2)ncn1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)4-6-21(3)16-8-15(17-10-18-16)13-5-7-22-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyOSZFIFQGUZOXHS-UHFFFAOYSA-N
XLogP2.00
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine (CID 118778875) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is Cc1n[nH]c(C)c1CCN(C)c1cc(C2CCOC2)ncn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is OSZFIFQGUZOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14(12(2)20-19-11)4-6-21(3)16-8-15(17-10-18-16)13-5-7-22-9-13/h8,10,13H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118778875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).