N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine

C14H23N3O — CID 164637347

IUPACN-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1cncnc1NCC[C@H]1CCCOC1
InChIInChI=1S/C14H23N3O/c1-2-4-13-9-15-11-17-14(13)16-7-6-12-5-3-8-18-10-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)/t12-/m1/s1
InChIKeyFAMBEVMMMJENLA-GFCCVEGCSA-N
MW249.36 g/mol
LogP2.66
Rot. Bonds6

About N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine

N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine (PubChem CID 164637347) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
PubChem CID164637347
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine
SMILESCCCc1cncnc1NCC[C@H]1CCCOC1
InChIInChI=1S/C14H23N3O/c1-2-4-13-9-15-11-17-14(13)16-7-6-12-5-3-8-18-10-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)/t12-/m1/s1
InChIKeyFAMBEVMMMJENLA-GFCCVEGCSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine?
The IUPAC name of N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine (CID 164637347) is N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine is CCCc1cncnc1NCC[C@H]1CCCOC1.
What is the InChIKey of N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine?
The InChIKey is FAMBEVMMMJENLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-13-9-15-11-17-14(13)16-7-6-12-5-3-8-18-10-12/h9,11-12H,2-8,10H2,1H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine?
N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-oxan-3-yl]ethyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 164637347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).