N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine

C12H21N3O — CID 116731262

IUPACN-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(OC)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C12H21N3O/c1-5-11(16-4)12-14-7-10(8-15-12)6-13-9(2)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyMBLIRXPDQDJTHH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds6

About N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 116731262) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID116731262
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCC(OC)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C12H21N3O/c1-5-11(16-4)12-14-7-10(8-15-12)6-13-9(2)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyMBLIRXPDQDJTHH-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206481
N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 116731243
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
N-[[2-(3-ethyl-1,4-dithian-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 115388808
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
N-[[2-(4-methyl-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 63839132
N-[[6-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289960
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 80639266

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 116731262) is N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine is CCC(OC)c1ncc(CNC(C)C)cn1.
What is the InChIKey of N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is MBLIRXPDQDJTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-11(16-4)12-14-7-10(8-15-12)6-13-9(2)3/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.07, 6 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-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116731262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).