4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine

C16H30N4 — CID 79218408

IUPAC4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
SMILESCCc1nc(N(C)C)nc(CC)c1CCNCC(C)C
InChIInChI=1S/C16H30N4/c1-7-14-13(9-10-17-11-12(3)4)15(8-2)19-16(18-14)20(5)6/h12,17H,7-11H2,1-6H3
InChIKeyNBFPNJRZZJINNV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.46
Rot. Bonds8

About 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine

4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine (PubChem CID 79218408) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
PubChem CID79218408
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
SMILESCCc1nc(N(C)C)nc(CC)c1CCNCC(C)C
InChIInChI=1S/C16H30N4/c1-7-14-13(9-10-17-11-12(3)4)15(8-2)19-16(18-14)20(5)6/h12,17H,7-11H2,1-6H3
InChIKeyNBFPNJRZZJINNV-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4,6-diethyl-2-(2-methylpropyl)pyrimidin-5-yl]ethyl]-2-methylpropan-2-amine
CID 79220574
2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219947
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
N-[2-(4,6-diethyl-2-methylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79219467
2-[4,6-diethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]-N-ethylethanamine
CID 79218400
N-[2-[4,6-diethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 79218565
N-[3-[2-[2-(dimethylamino)ethyl]-4,6-dimethylpyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 115347169
2-methyl-N-propylpropan-1-amine
CID 520943
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
2-[2-(ethoxymethyl)-4,6-diethylpyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 79219791

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine (CID 79218408) is 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine is CCc1nc(N(C)C)nc(CC)c1CCNCC(C)C.
What is the InChIKey of 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine?
The InChIKey is NBFPNJRZZJINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-14-13(9-10-17-11-12(3)4)15(8-2)19-16(18-14)20(5)6/h12,17H,7-11H2,1-6H3.
What are the key properties of 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine?
4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 79218408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).