4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C15H29N5 — CID 80833363

IUPAC4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCN(C)CC)c1C(C)C
InChIInChI=1S/C15H29N5/c1-6-8-16-14-13(12(3)4)15(19-11-18-14)17-9-10-20(5)7-2/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyUIJOCAUWBIEREK-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.79
Rot. Bonds9

About 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80833363) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80833363
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCN(C)CC)c1C(C)C
InChIInChI=1S/C15H29N5/c1-6-8-16-14-13(12(3)4)15(19-11-18-14)17-9-10-20(5)7-2/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19)
InChIKeyUIJOCAUWBIEREK-UHFFFAOYSA-N
XLogP2.79
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 102807888

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80833363) is 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCN(C)CC)c1C(C)C.
What is the InChIKey of 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UIJOCAUWBIEREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-8-16-14-13(12(3)4)15(19-11-18-14)17-9-10-20(5)7-2/h11-12H,6-10H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80833363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).