3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

C13H23N5O — CID 63286301

IUPAC3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N5O/c1-10(2)11-8-13(17-9-16-11)18(6-7-19-3)5-4-12(14)15/h8-10H,4-7H2,1-3H3,(H3,14,15)
InChIKeyGOIXBPLREBPILU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds8

About 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide

3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (PubChem CID 63286301) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
PubChem CID63286301
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)c1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N5O/c1-10(2)11-8-13(17-9-16-11)18(6-7-19-3)5-4-12(14)15/h8-10H,4-7H2,1-3H3,(H3,14,15)
InChIKeyGOIXBPLREBPILU-UHFFFAOYSA-N
XLogP1.38
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
6-(Propan-2-yl)pyrimidin-4-amine
CID 21050418
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72839408
N-cyclopentyl-N'-(6-ethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72847596
6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The IUPAC name of 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide (CID 63286301) is 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The canonical SMILES for 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)c1cc(C(C)C)ncn1.
What is the InChIKey of 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
The InChIKey is GOIXBPLREBPILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)11-8-13(17-9-16-11)18(6-7-19-3)5-4-12(14)15/h8-10H,4-7H2,1-3H3,(H3,14,15).
What are the key properties of 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide?
3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 63286301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).