4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine

C16H30N4 — CID 80949730

IUPAC4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)C(C)C)nc(CCC)n1
InChIInChI=1S/C16H30N4/c1-6-8-14-19-15(17-9-7-2)10-16(20-14)18-11-13(5)12(3)4/h10,12-13H,6-9,11H2,1-5H3,(H2,17,18,19,20)
InChIKeyXGJULSWBEIZHGE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.95
Rot. Bonds9

About 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine

4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine (PubChem CID 80949730) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
PubChem CID80949730
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)C(C)C)nc(CCC)n1
InChIInChI=1S/C16H30N4/c1-6-8-14-19-15(17-9-7-2)10-16(20-14)18-11-13(5)12(3)4/h10,12-13H,6-9,11H2,1-5H3,(H2,17,18,19,20)
InChIKeyXGJULSWBEIZHGE-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
4-N-methyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954589
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296233
3-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80955556
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine (CID 80949730) is 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine is CCCNc1cc(NCC(C)C(C)C)nc(CCC)n1.
What is the InChIKey of 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
The InChIKey is XGJULSWBEIZHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-8-14-19-15(17-9-7-2)10-16(20-14)18-11-13(5)12(3)4/h10,12-13H,6-9,11H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).