N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

C16H22N4 — CID 82739374

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1cccnc1CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-13-7-6-8-17-14(13)10-18-15-9-12(4)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyTXBWHEFPMCVYOD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82739374) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID82739374
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1cccnc1CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-5-13-7-6-8-17-14(13)10-18-15-9-12(4)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyTXBWHEFPMCVYOD-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 82739374) is N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is CCc1cccnc1CNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is TXBWHEFPMCVYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-7-6-8-17-14(13)10-18-15-9-12(4)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).