4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

C15H29N5O — CID 102998801

IUPAC4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCCN(C)C)nc(COC)n1
InChIInChI=1S/C15H29N5O/c1-6-16-13-11-15(18-14(17-13)12-21-5)20(7-2)10-8-9-19(3)4/h11H,6-10,12H2,1-5H3,(H,16,17,18)
InChIKeyYFOSCBYMVNKRSD-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.83
Rot. Bonds10

About 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine (PubChem CID 102998801) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
PubChem CID102998801
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CCCN(C)C)nc(COC)n1
InChIInChI=1S/C15H29N5O/c1-6-16-13-11-15(18-14(17-13)12-21-5)20(7-2)10-8-9-19(3)4/h11H,6-10,12H2,1-5H3,(H,16,17,18)
InChIKeyYFOSCBYMVNKRSD-UHFFFAOYSA-N
XLogP1.83
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
N'-ethyl-N'-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 102999011
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998802
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
3-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80934943
4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 107403005
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine (CID 102998801) is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine is CCNc1cc(N(CC)CCCN(C)C)nc(COC)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
The InChIKey is YFOSCBYMVNKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-6-16-13-11-15(18-14(17-13)12-21-5)20(7-2)10-8-9-19(3)4/h11H,6-10,12H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 102998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).