N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine

C14H23N3O — CID 114216966

IUPACN-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)Oc1ncncc1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-10(2)6-11(3)18-14-12(7-15-9-17-14)8-16-13-4-5-13/h7,9-11,13,16H,4-6,8H2,1-3H3
InChIKeyOCFSBRLZMFUJIQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.54
Rot. Bonds7

About N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114216966) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114216966
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(C)CC(C)Oc1ncncc1CNC1CC1
InChIInChI=1S/C14H23N3O/c1-10(2)6-11(3)18-14-12(7-15-9-17-14)8-16-13-4-5-13/h7,9-11,13,16H,4-6,8H2,1-3H3
InChIKeyOCFSBRLZMFUJIQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114217177
N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 114217110
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
N-[[4-(3-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216062
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114216966) is N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine is CC(C)CC(C)Oc1ncncc1CNC1CC1.
What is the InChIKey of N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is OCFSBRLZMFUJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)6-11(3)18-14-12(7-15-9-17-14)8-16-13-4-5-13/h7,9-11,13,16H,4-6,8H2,1-3H3.
What are the key properties of N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114216966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).