N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine

C14H23N3O — CID 114125912

IUPACN-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2(C)CCOCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-3-4-12-9-13(17-11-16-12)15-10-14(2)5-7-18-8-6-14/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyYXFFQPDHQOCKFP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.66
Rot. Bonds5

About N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine

N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine (PubChem CID 114125912) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
PubChem CID114125912
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2(C)CCOCC2)ncn1
InChIInChI=1S/C14H23N3O/c1-3-4-12-9-13(17-11-16-12)15-10-14(2)5-7-18-8-6-14/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyYXFFQPDHQOCKFP-UHFFFAOYSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine (CID 114125912) is N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine is CCCc1cc(NCC2(C)CCOCC2)ncn1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine?
The InChIKey is YXFFQPDHQOCKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-12-9-13(17-11-16-12)15-10-14(2)5-7-18-8-6-14/h9,11H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine?
N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine is sourced from PubChem (CID 114125912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).