4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

C16H30N4 — CID 80849502

IUPAC4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C16H30N4/c1-7-13(8-2)20(9-11(3)4)16-14(12(5)6)15(17)18-10-19-16/h10-13H,7-9H2,1-6H3,(H2,17,18,19)
InChIKeyRMECUQGKBPJVKW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.83
Rot. Bonds7

About 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80849502) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80849502
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C16H30N4/c1-7-13(8-2)20(9-11(3)4)16-14(12(5)6)15(17)18-10-19-16/h10-13H,7-9H2,1-6H3,(H2,17,18,19)
InChIKeyRMECUQGKBPJVKW-UHFFFAOYSA-N
XLogP3.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837463
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
6-chloro-N-(2-methylpropyl)-N-pentan-3-yl-5-propylpyrimidin-4-amine
CID 79491060
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80816434
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80849502) is 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is CCC(CC)N(CC(C)C)c1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RMECUQGKBPJVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-13(8-2)20(9-11(3)4)16-14(12(5)6)15(17)18-10-19-16/h10-13H,7-9H2,1-6H3,(H2,17,18,19).
What are the key properties of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80849502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).