N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C13H23N3O — CID 116731108

IUPACN-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC(OC)c1nccc(CNCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(17-4)13-15-7-6-11(16-13)9-14-8-10(2)3/h6-7,10,12,14H,5,8-9H2,1-4H3
InChIKeyFSGUHYLKNTXDBJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds7

About N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116731108) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID116731108
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCC(OC)c1nccc(CNCC(C)C)n1
InChIInChI=1S/C13H23N3O/c1-5-12(17-4)13-15-7-6-11(16-13)9-14-8-10(2)3/h6-7,10,12,14H,5,8-9H2,1-4H3
InChIKeyFSGUHYLKNTXDBJ-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731053
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
2-methyl-N-[[2-(pyridin-2-ylmethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747219
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
N-[[2-(4-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62747587
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749359
N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81074807
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 116731108) is N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine is CCC(OC)c1nccc(CNCC(C)C)n1.
What is the InChIKey of N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FSGUHYLKNTXDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12(17-4)13-15-7-6-11(16-13)9-14-8-10(2)3/h6-7,10,12,14H,5,8-9H2,1-4H3.
What are the key properties of N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116731108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).