N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine

C14H17N3O — CID 116902616

IUPACN-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2nccc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C14H17N3O/c1-10-3-4-12(18-10)11-5-8-16-13(17-11)14(6-7-14)9-15-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyZRPVTFRXNURCHM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds4

About N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine

N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine (PubChem CID 116902616) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
PubChem CID116902616
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine
SMILESCNCC1(c2nccc(-c3ccc(C)o3)n2)CC1
InChIInChI=1S/C14H17N3O/c1-10-3-4-12(18-10)11-5-8-16-13(17-11)14(6-7-14)9-15-2/h3-5,8,15H,6-7,9H2,1-2H3
InChIKeyZRPVTFRXNURCHM-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine (CID 116902616) is N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine is CNCC1(c2nccc(-c3ccc(C)o3)n2)CC1.
What is the InChIKey of N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
The InChIKey is ZRPVTFRXNURCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-4-12(18-10)11-5-8-16-13(17-11)14(6-7-14)9-15-2/h3-5,8,15H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine?
N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116902616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).