6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine

C15H28N4O2 — CID 80941613

IUPAC6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(CCOC)CCOC)n1
InChIInChI=1S/C15H28N4O2/c1-5-7-13-17-14(16-6-2)12-15(18-13)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyZRROPBMWWYEDFN-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.96
Rot. Bonds11

About 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine

6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80941613) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80941613
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(N(CCOC)CCOC)n1
InChIInChI=1S/C15H28N4O2/c1-5-7-13-17-14(16-6-2)12-15(18-13)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyZRROPBMWWYEDFN-UHFFFAOYSA-N
XLogP1.96
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
4-N,4-N,6-N,2-tetrapropylpyrimidine-4,6-diamine
CID 80946312
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80942751
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 80954748
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80942440
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine (CID 80941613) is 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(N(CCOC)CCOC)n1.
What is the InChIKey of 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ZRROPBMWWYEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-7-13-17-14(16-6-2)12-15(18-13)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).