4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

C12H23N5 — CID 80846664

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)CCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-9-11(13-3)14-10(2)15-12(9)17(6)8-7-16(4)5/h7-8H2,1-6H3,(H,13,14,15)
InChIKeyTTYNAXCWVVHTDM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.13
Rot. Bonds5

About 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (PubChem CID 80846664) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
PubChem CID80846664
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)CCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-9-11(13-3)14-10(2)15-12(9)17(6)8-7-16(4)5/h7-8H2,1-6H3,(H,13,14,15)
InChIKeyTTYNAXCWVVHTDM-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918505
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63730048
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
4-N,6-N,2,5-tetramethyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766493
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777376
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80809386

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (CID 80846664) is 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is CNc1nc(C)nc(N(C)CCN(C)C)c1C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The InChIKey is TTYNAXCWVVHTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-11(13-3)14-10(2)15-12(9)17(6)8-7-16(4)5/h7-8H2,1-6H3,(H,13,14,15).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80846664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).