N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine

C9H16N4 — CID 102536247

IUPACN-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
SMILESCCNCc1cnc(NCC)nc1
InChIInChI=1S/C9H16N4/c1-3-10-5-8-6-12-9(11-4-2)13-7-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKPPVQIDAFOLGFZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.02
Rot. Bonds5

About N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine

N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine (PubChem CID 102536247) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
PubChem CID102536247
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
SMILESCCNCc1cnc(NCC)nc1
InChIInChI=1S/C9H16N4/c1-3-10-5-8-6-12-9(11-4-2)13-7-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKPPVQIDAFOLGFZ-UHFFFAOYSA-N
XLogP1.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine (CID 102536247) is N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine is CCNCc1cnc(NCC)nc1.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine?
The InChIKey is KPPVQIDAFOLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-10-5-8-6-12-9(11-4-2)13-7-8/h6-7,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine?
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 102536247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).