N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine

C14H23N3O — CID 114221355

IUPACN-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(OC(C)C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)11(4)18-14-16-10(3)7-13(17-14)8-15-12-5-6-12/h7,9,11-12,15H,5-6,8H2,1-4H3
InChIKeyNEWDQDDKOXPGBT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.46
Rot. Bonds6

About N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 114221355) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID114221355
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)nc(OC(C)C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-9(2)11(4)18-14-16-10(3)7-13(17-14)8-15-12-5-6-12/h7,9,11-12,15H,5-6,8H2,1-4H3
InChIKeyNEWDQDDKOXPGBT-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
CID 114221349
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731170
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 114221213
N-[[6-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 55114430

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine (CID 114221355) is N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)nc(OC(C)C(C)C)n1.
What is the InChIKey of N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is NEWDQDDKOXPGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)11(4)18-14-16-10(3)7-13(17-14)8-15-12-5-6-12/h7,9,11-12,15H,5-6,8H2,1-4H3.
What are the key properties of N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114221355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).