2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

C20H31N5 — CID 112901225

IUPAC2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C20H31N5/c1-5-15-25(16-6-2)19-13-14-21-20(23-19)22-17-9-11-18(12-10-17)24(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,21,22,23)
InChIKeyVGBNHPHSIUYMIO-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.69
Rot. Bonds10

About 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112901225) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112901225
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(Nc2ccc(N(CC)CC)cc2)n1
InChIInChI=1S/C20H31N5/c1-5-15-25(16-6-2)19-13-14-21-20(23-19)22-17-9-11-18(12-10-17)24(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,21,22,23)
InChIKeyVGBNHPHSIUYMIO-UHFFFAOYSA-N
XLogP4.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-N-(4-phenylmethoxyphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901232
ethyl 4-[[4-(dipropylamino)pyrimidin-2-yl]amino]benzoate
CID 112901242
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
2-N-(1,3-benzodioxol-5-yl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901239
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943
4-N,4-N-diethyl-1-N-(4-piperidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112884574
N-butyl-2-[4-(diethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109312384
4-[[4-[4-(diethylamino)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112906110
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(diethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904070

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112901225) is 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(Nc2ccc(N(CC)CC)cc2)n1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is VGBNHPHSIUYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-5-15-25(16-6-2)19-13-14-21-20(23-19)22-17-9-11-18(12-10-17)24(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,21,22,23).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 341.50 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).