N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine

C12H21N3 — CID 62192677

IUPACN-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-7-10-8-11(13-6-2)15-12(14-10)9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyCYDWCYDLUIMPCQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine

N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine (PubChem CID 62192677) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
PubChem CID62192677
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(C)C)n1
InChIInChI=1S/C12H21N3/c1-5-7-10-8-11(13-6-2)15-12(14-10)9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyCYDWCYDLUIMPCQ-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine (CID 62192677) is N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine?
The InChIKey is CYDWCYDLUIMPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-7-10-8-11(13-6-2)15-12(14-10)9(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62192677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).