4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine

C11H20N4 — CID 80767161

IUPAC4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4/c1-5-15(6-2)11-9(8(3)4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyRLQGMWAGYDBUEM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.03
Rot. Bonds4

About 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80767161) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80767161
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ncnc(N)c1C(C)C
InChIInChI=1S/C11H20N4/c1-5-15(6-2)11-9(8(3)4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyRLQGMWAGYDBUEM-UHFFFAOYSA-N
XLogP2.03
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80753994
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80767161) is 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine is CCN(CC)c1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RLQGMWAGYDBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-15(6-2)11-9(8(3)4)10(12)13-7-14-11/h7-8H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).