N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine

C14H23N3O — CID 114206897

IUPACN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOC)nc1C1CC1
InChIInChI=1S/C14H23N3O/c1-3-7-15-9-12-10-16-13(6-8-18-2)17-14(12)11-4-5-11/h10-11,15H,3-9H2,1-2H3
InChIKeyBNSGPBBXFZUDRH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds8

About N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 114206897) 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-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID114206897
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(CCOC)nc1C1CC1
InChIInChI=1S/C14H23N3O/c1-3-7-15-9-12-10-16-13(6-8-18-2)17-14(12)11-4-5-11/h10-11,15H,3-9H2,1-2H3
InChIKeyBNSGPBBXFZUDRH-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206901
1-[4-cyclopropyl-2-(2-ethoxyethyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206875
N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 114206896
N-[(4-cyclopropyl-2-propylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206909
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189344
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206739
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 102928805
5-bromo-6-cyclopropyl-2-(2-methoxyethyl)-N-methylpyrimidin-4-amine
CID 66301916

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine (CID 114206897) is N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(CCOC)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is BNSGPBBXFZUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-7-15-9-12-10-16-13(6-8-18-2)17-14(12)11-4-5-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 2.04, 8 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-1-amine is sourced from PubChem (CID 114206897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).