4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

C11H21N5 — CID 76852081

IUPAC4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1cc(N)nc(C)n1
InChIInChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-11-8-10(12)14-9(3)15-11/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyQUVNSPOUVNNGAA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds6

About 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 76852081) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID76852081
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CCNc1cc(N)nc(C)n1
InChIInChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-11-8-10(12)14-9(3)15-11/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyQUVNSPOUVNNGAA-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
N-(6-chloro-2-methylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721020
N',N'-diethyl-N-[6-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82454422
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
6-N-[2-(diethylamino)ethyl]pyridine-2,6-diamine
CID 10856706
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine (CID 76852081) is 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is CCN(CC)CCNc1cc(N)nc(C)n1.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is QUVNSPOUVNNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-16(5-2)7-6-13-11-8-10(12)14-9(3)15-11/h8H,4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 76852081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).