4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80954835

IUPAC4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H24N4/c1-4-6-8-10(3)15-13-9-11(14)16-12(17-13)7-5-2/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyNXNSSFVCKLTMQY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.00
Rot. Bonds7

About 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine

4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine (PubChem CID 80954835) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
PubChem CID80954835
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H24N4/c1-4-6-8-10(3)15-13-9-11(14)16-12(17-13)7-5-2/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyNXNSSFVCKLTMQY-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
2-propylpyrimidine-4,6-diamine
CID 67304918

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine (CID 80954835) is 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine is CCCCC(C)Nc1cc(N)nc(CCC)n1.
What is the InChIKey of 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine?
The InChIKey is NXNSSFVCKLTMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-8-10(3)15-13-9-11(14)16-12(17-13)7-5-2/h9-10H,4-8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine?
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).