6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

C16H30N4O — CID 25129161

IUPAC6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(OCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4O/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyXCCDPTMURRRWCS-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.65
Rot. Bonds9

About 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine

6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 25129161) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID25129161
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(OCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C16H30N4O/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyXCCDPTMURRRWCS-UHFFFAOYSA-N
XLogP3.65
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
CID 493050
2,4-Diamino-6-methoxypyrimidine
CID 816925
6-Methoxy-2-methylpyrimidin-4-amine
CID 549435
Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
4-N-butyl-6-methoxypyrimidine-2,4-diamine
CID 103817396
6-(2-Methylpropoxy)pyrimidin-4-amine
CID 68058468
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(2-methoxyethylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577027
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (CID 25129161) is 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(OCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is XCCDPTMURRRWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11(2)8-17-14-7-15(21-10-13(5)6)20-16(19-14)18-9-12(3)4/h7,11-13H,8-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25129161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).