4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine

C14H27N5 — CID 80957518

IUPAC4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-19(7-2)9-11(5)16-13-8-12(15)17-14(18-13)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H3,15,16,17,18)
InChIKeyBWGDLAKWOSQWBX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds7

About 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957518) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957518
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C14H27N5/c1-6-19(7-2)9-11(5)16-13-8-12(15)17-14(18-13)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H3,15,16,17,18)
InChIKeyBWGDLAKWOSQWBX-UHFFFAOYSA-N
XLogP2.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 80815883
4-N-[4-(dimethylamino)butan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960568
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 63962390
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957518) is 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine is CCN(CC)CC(C)Nc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BWGDLAKWOSQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-19(7-2)9-11(5)16-13-8-12(15)17-14(18-13)10(3)4/h8,10-11H,6-7,9H2,1-5H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).