4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine

C11H19N5O — CID 114401447

IUPAC4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCOC(CNc2ccnc(N)n2)C1
InChIInChI=1S/C11H19N5O/c1-2-16-5-6-17-9(8-16)7-14-10-3-4-13-11(12)15-10/h3-4,9H,2,5-8H2,1H3,(H3,12,13,14,15)
InChIKeyJUFCZHGDAWUKGF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.19
Rot. Bonds4

About 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine

4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 114401447) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID114401447
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN1CCOC(CNc2ccnc(N)n2)C1
InChIInChI=1S/C11H19N5O/c1-2-16-5-6-17-9(8-16)7-14-10-3-4-13-11(12)15-10/h3-4,9H,2,5-8H2,1H3,(H3,12,13,14,15)
InChIKeyJUFCZHGDAWUKGF-UHFFFAOYSA-N
XLogP0.19
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-ethylmorpholin-2-yl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115643858
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 115619054
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253529

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine (CID 114401447) is 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine is CCN1CCOC(CNc2ccnc(N)n2)C1.
What is the InChIKey of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JUFCZHGDAWUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-16-5-6-17-9(8-16)7-14-10-3-4-13-11(12)15-10/h3-4,9H,2,5-8H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine?
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114401447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).