N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine

C11H19N3 — CID 89441640

IUPACN,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine
SMILESC/C=C/C1(C)N=CC(C)=C(N(C)C)N1
InChIInChI=1S/C11H19N3/c1-6-7-11(3)12-8-9(2)10(13-11)14(4)5/h6-8,13H,1-5H3/b7-6+
InChIKeyDNHHFNOXGHDMKO-VOTSOKGWSA-N
MW193.29 g/mol
LogP1.75
Rot. Bonds2

About N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine

N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine (PubChem CID 89441640) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine.

Molecular Properties

Compound NameN,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine
PubChem CID89441640
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine
SMILESC/C=C/C1(C)N=CC(C)=C(N(C)C)N1
InChIInChI=1S/C11H19N3/c1-6-7-11(3)12-8-9(2)10(13-11)14(4)5/h6-8,13H,1-5H3/b7-6+
InChIKeyDNHHFNOXGHDMKO-VOTSOKGWSA-N
XLogP1.75
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine?
The IUPAC name of N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine (CID 89441640) is N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine.
What is the SMILES notation for N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine?
The canonical SMILES for N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine is C/C=C/C1(C)N=CC(C)=C(N(C)C)N1.
What is the InChIKey of N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine?
The InChIKey is DNHHFNOXGHDMKO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-7-11(3)12-8-9(2)10(13-11)14(4)5/h6-8,13H,1-5H3/b7-6+.
What are the key properties of N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine?
N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine has a molecular weight of 193.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5-tetramethyl-2-[(E)-prop-1-enyl]-1H-pyrimidin-6-amine is sourced from PubChem (CID 89441640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).