5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine

C17H24N4 — CID 80792894

IUPAC5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N4/c1-5-15-16(18-4)20-11-21-17(15)19-10-13-6-8-14(9-7-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyQFUWFSFNFCWRBR-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.82
Rot. Bonds6

About 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80792894) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
PubChem CID80792894
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H24N4/c1-5-15-16(18-4)20-11-21-17(15)19-10-13-6-8-14(9-7-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyQFUWFSFNFCWRBR-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
4-N-[1-(4-bromophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80801411
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80778733
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
5-chloro-2-N-ethyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 80792892

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine (CID 80792894) is 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCc1ccc(C(C)C)cc1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is QFUWFSFNFCWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-15-16(18-4)20-11-21-17(15)19-10-13-6-8-14(9-7-13)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80792894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).