6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine

C16H22N4 — CID 80956022

IUPAC6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-11(2)16-19-14(17-4)10-15(20-16)18-12(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,17,18,19,20)
InChIKeyAXIAJPBXORREKH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.81
Rot. Bonds5

About 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956022) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956022
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C16H22N4/c1-11(2)16-19-14(17-4)10-15(20-16)18-12(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,17,18,19,20)
InChIKeyAXIAJPBXORREKH-UHFFFAOYSA-N
XLogP3.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956022) is 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NC(C)c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is AXIAJPBXORREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)16-19-14(17-4)10-15(20-16)18-12(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).