4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine

C12H22N4 — CID 62299633

IUPAC4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCN(CC)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C12H22N4/c1-5-16(6-2)11-8-14-12(9(3)4)15-10(11)7-13/h8-9H,5-7,13H2,1-4H3
InChIKeyWZTZXOZTIJRHPG-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.90
Rot. Bonds5

About 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62299633) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
PubChem CID62299633
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
SMILESCCN(CC)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C12H22N4/c1-5-16(6-2)11-8-14-12(9(3)4)15-10(11)7-13/h8-9H,5-7,13H2,1-4H3
InChIKeyWZTZXOZTIJRHPG-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine (CID 62299633) is 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine is CCN(CC)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is WZTZXOZTIJRHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-16(6-2)11-8-14-12(9(3)4)15-10(11)7-13/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 222.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62299633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).