N,4-dimethyl-5-pentylpyrimidin-2-amine

C11H19N3 — CID 63549616

IUPACN,4-dimethyl-5-pentylpyrimidin-2-amine
SMILESCCCCCc1cnc(NC)nc1C
InChIInChI=1S/C11H19N3/c1-4-5-6-7-10-8-13-11(12-3)14-9(10)2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyXGRJXMNZJSIUOA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.56
Rot. Bonds5

About N,4-dimethyl-5-pentylpyrimidin-2-amine

N,4-dimethyl-5-pentylpyrimidin-2-amine (PubChem CID 63549616) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,4-dimethyl-5-pentylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-pentylpyrimidin-2-amine
PubChem CID63549616
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,4-dimethyl-5-pentylpyrimidin-2-amine
SMILESCCCCCc1cnc(NC)nc1C
InChIInChI=1S/C11H19N3/c1-4-5-6-7-10-8-13-11(12-3)14-9(10)2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyXGRJXMNZJSIUOA-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 103278974
2-amino-4-methyl-N-(4-methyl-5-pentylpyrimidin-2-yl)pentanamide;hydrate
CID 174832631
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
4-pentyl-6-oxa-7-thia-2,8-diazabicyclo[3.2.1]octa-1,3,5(8)-triene
CID 67814094
5-(bromomethyl)-4-ethyl-N-methylpyrimidin-2-amine
CID 130483336
5-hexylpyrimidine-2,4-diamine
CID 23086565
[1-(4-methyl-5-pentylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279282

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-pentylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-5-pentylpyrimidin-2-amine (CID 63549616) is N,4-dimethyl-5-pentylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-pentylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-5-pentylpyrimidin-2-amine is CCCCCc1cnc(NC)nc1C.
What is the InChIKey of N,4-dimethyl-5-pentylpyrimidin-2-amine?
The InChIKey is XGRJXMNZJSIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-7-10-8-13-11(12-3)14-9(10)2/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N,4-dimethyl-5-pentylpyrimidin-2-amine?
N,4-dimethyl-5-pentylpyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-pentylpyrimidin-2-amine is sourced from PubChem (CID 63549616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).