N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine

C12H22N4O2 — CID 114216195

IUPACN,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(CCOC)CCOC
InChIInChI=1S/C12H22N4O2/c1-13-8-11-9-14-10-15-12(11)16(4-6-17-2)5-7-18-3/h9-10,13H,4-8H2,1-3H3
InChIKeyZHFABLKMMMIDIR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.30
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine

N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine (PubChem CID 114216195) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
PubChem CID114216195
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(CCOC)CCOC
InChIInChI=1S/C12H22N4O2/c1-13-8-11-9-14-10-15-12(11)16(4-6-17-2)5-7-18-3/h9-10,13H,4-8H2,1-3H3
InChIKeyZHFABLKMMMIDIR-UHFFFAOYSA-N
XLogP0.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[bis(2-methoxyethyl)amino]pyrimidin-5-yl]methanol
CID 114215034
N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216105
N-(3-fluorophenyl)-N-methyl-5-(methylaminomethyl)pyrimidin-4-amine
CID 114216152
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N'-(5-bromopyrimidin-4-yl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 66341638
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
N,N-diethyl-2-[5-(methylaminomethyl)pyrimidin-4-yl]oxyethanamine
CID 114217117
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine (CID 114216195) is N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine is CNCc1cncnc1N(CCOC)CCOC.
What is the InChIKey of N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine?
The InChIKey is ZHFABLKMMMIDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-13-8-11-9-14-10-15-12(11)16(4-6-17-2)5-7-18-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine?
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine has a molecular weight of 254.33 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).