N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine

C12H21N3O — CID 104762532

IUPACN-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC(C)(C)OC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyPVAUOWILSLILKU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds6

About N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine

N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine (PubChem CID 104762532) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
PubChem CID104762532
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC(C)(C)OC)ncn1
InChIInChI=1S/C12H21N3O/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyPVAUOWILSLILKU-UHFFFAOYSA-N
XLogP2.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine (CID 104762532) is N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC(C)(C)OC)ncn1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
The InChIKey is PVAUOWILSLILKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-10-7-11(15-9-14-10)13-8-12(2,3)16-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine?
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 104762532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).