N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine

C14H25N5O — CID 115975387

IUPACN-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N(C)CCN2CCNCC2)n1
InChIInChI=1S/C14H25N5O/c1-3-12-20-13-4-5-16-14(17-13)18(2)10-11-19-8-6-15-7-9-19/h4-5,15H,3,6-12H2,1-2H3
InChIKeyBXFMHJLMKYGIDV-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.61
Rot. Bonds7

About N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine

N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine (PubChem CID 115975387) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
PubChem CID115975387
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(N(C)CCN2CCNCC2)n1
InChIInChI=1S/C14H25N5O/c1-3-12-20-13-4-5-16-14(17-13)18(2)10-11-19-8-6-15-7-9-19/h4-5,15H,3,6-12H2,1-2H3
InChIKeyBXFMHJLMKYGIDV-UHFFFAOYSA-N
XLogP0.61
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
5-bromo-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998130
N-(2-methoxyethyl)-N'-methyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639113
2-(2,2-dimethylpiperazin-1-yl)-4-propoxypyrimidine
CID 112638716
N-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 63266299
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
1-(4-propoxypyrimidin-2-yl)piperazine-2-carboxylic acid
CID 112638719
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
N-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552611
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine (CID 115975387) is N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(N(C)CCN2CCNCC2)n1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine?
The InChIKey is BXFMHJLMKYGIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-12-20-13-4-5-16-14(17-13)18(2)10-11-19-8-6-15-7-9-19/h4-5,15H,3,6-12H2,1-2H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine?
N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 115975387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).