2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

C19H28N4O — CID 112895036

IUPAC2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C19H28N4O/c1-4-14-23(15-5-2)18-11-13-21-19(22-18)20-12-10-16-8-6-7-9-17(16)24-3/h6-9,11,13H,4-5,10,12,14-15H2,1-3H3,(H,20,21,22)
InChIKeyRPGYJMYMWGYJNR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.77
Rot. Bonds10

About 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112895036) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112895036
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C19H28N4O/c1-4-14-23(15-5-2)18-11-13-21-19(22-18)20-12-10-16-8-6-7-9-17(16)24-3/h6-9,11,13H,4-5,10,12,14-15H2,1-3H3,(H,20,21,22)
InChIKeyRPGYJMYMWGYJNR-UHFFFAOYSA-N
XLogP3.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172735
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895021
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882695
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 56553691
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112895036) is 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(NCCc2ccccc2OC)n1.
What is the InChIKey of 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is RPGYJMYMWGYJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-14-23(15-5-2)18-11-13-21-19(22-18)20-12-10-16-8-6-7-9-17(16)24-3/h6-9,11,13H,4-5,10,12,14-15H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112895036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).