2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine

C10H17N3O — CID 104759454

IUPAC2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCOC(C)(C)CNCc1ccncn1
InChIInChI=1S/C10H17N3O/c1-10(2,14-3)7-12-6-9-4-5-11-8-13-9/h4-5,8,12H,6-7H2,1-3H3
InChIKeyMKSFUSGUVVFYIV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.99
Rot. Bonds5

About 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine

2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine (PubChem CID 104759454) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
PubChem CID104759454
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
SMILESCOC(C)(C)CNCc1ccncn1
InChIInChI=1S/C10H17N3O/c1-10(2,14-3)7-12-6-9-4-5-11-8-13-9/h4-5,8,12H,6-7H2,1-3H3
InChIKeyMKSFUSGUVVFYIV-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
Pyrimidin-4-ylmethanamine
CID 12933348
2-Amino-4-pyrimidinemethanamine
CID 16227936
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CID 42614178
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
(2-Methoxypyrimidin-4-yl)methanamine
CID 55262952
Methyl[(pyrimidin-4-yl)methyl]amine dihydrochloride
CID 75485360
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine (CID 104759454) is 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine is COC(C)(C)CNCc1ccncn1.
What is the InChIKey of 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
The InChIKey is MKSFUSGUVVFYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,14-3)7-12-6-9-4-5-11-8-13-9/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine?
2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 104759454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).