N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine

C14H23N3O — CID 114206901

IUPACN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCOCCc1ncc(CNC(C)C)c(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(6-7-18-3)17-14(12)11-4-5-11/h9-11,15H,4-8H2,1-3H3
InChIKeyOWXRYQXUTMRUGD-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds7

About N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206901) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206901
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCOCCc1ncc(CNC(C)C)c(C2CC2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(6-7-18-3)17-14(12)11-4-5-11/h9-11,15H,4-8H2,1-3H3
InChIKeyOWXRYQXUTMRUGD-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206897
N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206739
1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206875
N-[(4-cyclopropyl-2-propylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206909
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246152
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916
1-[4-cyclopropyl-2-(phenylmethoxymethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 165343676
1-[4-cyclopropyl-2-(1-methoxypropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206877
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384959
2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 53215000

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206901) is N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine is COCCc1ncc(CNC(C)C)c(C2CC2)n1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is OWXRYQXUTMRUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(6-7-18-3)17-14(12)11-4-5-11/h9-11,15H,4-8H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).