2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine

C12H20N4 — CID 112907755

IUPAC2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(N(CC)CC)n1
InChIInChI=1S/C12H20N4/c1-5-8-13-11-9-10(4)14-12(15-11)16(6-2)7-3/h5,9H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyWDNAZNDQJUXXNN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds6

About 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine

2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112907755) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112907755
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(N(CC)CC)n1
InChIInChI=1S/C12H20N4/c1-5-8-13-11-9-10(4)14-12(15-11)16(6-2)7-3/h5,9H,1,6-8H2,2-4H3,(H,13,14,15)
InChIKeyWDNAZNDQJUXXNN-UHFFFAOYSA-N
XLogP2.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
2-N,2-N-diethyl-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916376
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
4-N-prop-2-enyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112882540
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922529
4-N-(2-chlorophenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924240
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924252

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine (CID 112907755) is 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1cc(C)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is WDNAZNDQJUXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-5-8-13-11-9-10(4)14-12(15-11)16(6-2)7-3/h5,9H,1,6-8H2,2-4H3,(H,13,14,15).
What are the key properties of 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).