N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

C16H25N5 — CID 80977824

IUPACN-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(C(C)C)nc(NCC)c2C)cn1
InChIInChI=1S/C16H25N5/c1-6-8-21-10-13(9-18-21)14-12(5)16(17-7-2)20-15(19-14)11(3)4/h9-11H,6-8H2,1-5H3,(H,17,19,20)
InChIKeyZSEGZDNYYVZZLL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.61
Rot. Bonds6

About N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine

N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 80977824) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID80977824
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCn1cc(-c2nc(C(C)C)nc(NCC)c2C)cn1
InChIInChI=1S/C16H25N5/c1-6-8-21-10-13(9-18-21)14-12(5)16(17-7-2)20-15(19-14)11(3)4/h9-11H,6-8H2,1-5H3,(H,17,19,20)
InChIKeyZSEGZDNYYVZZLL-UHFFFAOYSA-N
XLogP3.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine (CID 80977824) is N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is CCCn1cc(-c2nc(C(C)C)nc(NCC)c2C)cn1.
What is the InChIKey of N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is ZSEGZDNYYVZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-6-8-21-10-13(9-18-21)14-12(5)16(17-7-2)20-15(19-14)11(3)4/h9-11H,6-8H2,1-5H3,(H,17,19,20).
What are the key properties of N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80977824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).