4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

C13H24N4O — CID 113401240

IUPAC4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCC)nc(COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-8-17(3)13-9-11(14-6-2)15-12(16-13)10-18-4/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyNVRLOFPQZOOKIL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.29
Rot. Bonds8

About 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 113401240) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID113401240
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(NCC)nc(COC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-8-17(3)13-9-11(14-6-2)15-12(16-13)10-18-4/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyNVRLOFPQZOOKIL-UHFFFAOYSA-N
XLogP2.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
6-N-ethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80950474
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine (CID 113401240) is 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine is CCCCN(C)c1cc(NCC)nc(COC)n1.
What is the InChIKey of 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is NVRLOFPQZOOKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-8-17(3)13-9-11(14-6-2)15-12(16-13)10-18-4/h9H,5-8,10H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).