4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80765380

IUPAC4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CC)c1C(C)C
InChIInChI=1S/C14H26N4/c1-6-8-15-13-12(10(3)4)14(17-9-16-13)18-11(5)7-2/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyHJOYGSWPVSLFHF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.63
Rot. Bonds7

About 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80765380) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80765380
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CC)c1C(C)C
InChIInChI=1S/C14H26N4/c1-6-8-15-13-12(10(3)4)14(17-9-16-13)18-11(5)7-2/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyHJOYGSWPVSLFHF-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
5-propan-2-yl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80825581
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
2-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80819527
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80765380) is 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)CC)c1C(C)C.
What is the InChIKey of 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HJOYGSWPVSLFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-8-15-13-12(10(3)4)14(17-9-16-13)18-11(5)7-2/h9-11H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).