4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

C14H26N4 — CID 80797563

IUPAC4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)(C)C)c1CC
InChIInChI=1S/C14H26N4/c1-6-8-15-12-11(7-2)13(18-10-17-12)16-9-14(3,4)5/h10H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyCGYYHDMVSAEMEK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.32
Rot. Bonds6

About 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80797563) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80797563
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)(C)C)c1CC
InChIInChI=1S/C14H26N4/c1-6-8-15-12-11(7-2)13(18-10-17-12)16-9-14(3,4)5/h10H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyCGYYHDMVSAEMEK-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-N-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296144
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667
4-N-(3-bromo-5-methylphenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107580901
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
5-ethyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839291
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80797563) is 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC(C)(C)C)c1CC.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CGYYHDMVSAEMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-8-15-12-11(7-2)13(18-10-17-12)16-9-14(3,4)5/h10H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80797563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).