1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine

C13H21N3O — CID 114206877

IUPAC1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCC(OC)c1ncc(CNC)c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-11(17-3)13-15-8-10(7-14-2)12(16-13)9-5-6-9/h8-9,11,14H,4-7H2,1-3H3
InChIKeyVXVRNJCLVKNQBX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds6

About 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 114206877) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID114206877
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCCC(OC)c1ncc(CNC)c(C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-4-11(17-3)13-15-8-10(7-14-2)12(16-13)9-5-6-9/h8-9,11,14H,4-7H2,1-3H3
InChIKeyVXVRNJCLVKNQBX-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
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
1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206875
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
CID 116729911
N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728333
1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 165343676
N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 116731262
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206901
N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 116731108
4-amino-2-(1-methoxypropyl)pyrimidine-5-carbonitrile
CID 116734138
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206897
2-(1-methoxypropyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 116728284

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine (CID 114206877) is 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine is CCC(OC)c1ncc(CNC)c(C2CC2)n1.
What is the InChIKey of 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is VXVRNJCLVKNQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11(17-3)13-15-8-10(7-14-2)12(16-13)9-5-6-9/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114206877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).