N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C16H21N7 — CID 45207957

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ccnc1CN(C)c1ncc(C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C16H21N7/c1-5-23-7-6-17-14(23)11-21(3)16-18-8-12(2)15(20-16)13-9-19-22(4)10-13/h6-10H,5,11H2,1-4H3
InChIKeyWOTDWSINPVBXCY-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.04
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 45207957) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID45207957
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ccnc1CN(C)c1ncc(C)c(-c2cnn(C)c2)n1
InChIInChI=1S/C16H21N7/c1-5-23-7-6-17-14(23)11-21(3)16-18-8-12(2)15(20-16)13-9-19-22(4)10-13/h6-10H,5,11H2,1-4H3
InChIKeyWOTDWSINPVBXCY-UHFFFAOYSA-N
XLogP2.04
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 45207957) is N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CCn1ccnc1CN(C)c1ncc(C)c(-c2cnn(C)c2)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is WOTDWSINPVBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-5-23-7-6-17-14(23)11-21(3)16-18-8-12(2)15(20-16)13-9-19-22(4)10-13/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 45207957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).