N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine

C14H19N3O — CID 114206488

IUPACN-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccoc1-c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H19N3O/c1-9(2)15-7-12-8-16-14(17-11(12)4)13-10(3)5-6-18-13/h5-6,8-9,15H,7H2,1-4H3
InChIKeyBWXBEOKYVNIRPD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.85
Rot. Bonds4

About N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206488) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206488
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1ccoc1-c1ncc(CNC(C)C)c(C)n1
InChIInChI=1S/C14H19N3O/c1-9(2)15-7-12-8-16-14(17-11(12)4)13-10(3)5-6-18-13/h5-6,8-9,15H,7H2,1-4H3
InChIKeyBWXBEOKYVNIRPD-UHFFFAOYSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 113455494
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
5-(chloromethyl)-2-(3-methylfuran-2-yl)pyrimidine
CID 104807244
N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-2-amine
CID 83189037
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189560
N-[[2-(1-methoxybutyl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206481
N,4-dimethyl-N-(oxan-4-yl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185887
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 83180428

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206488) is N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine is Cc1ccoc1-c1ncc(CNC(C)C)c(C)n1.
What is the InChIKey of N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is BWXBEOKYVNIRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)15-7-12-8-16-14(17-11(12)4)13-10(3)5-6-18-13/h5-6,8-9,15H,7H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).