N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine

C13H24N4 — CID 114216522

IUPACN-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cnc(C)nc1NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-6-7-14-8-11-9-15-10(2)16-12(11)17-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyTYPBGQJYAKDBCV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.50
Rot. Bonds5

About N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine

N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine (PubChem CID 114216522) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine
PubChem CID114216522
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine
SMILESCCCNCc1cnc(C)nc1NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-6-7-14-8-11-9-15-10(2)16-12(11)17-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyTYPBGQJYAKDBCV-UHFFFAOYSA-N
XLogP2.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
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-methyl-4-pyrrolidin-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 114215762
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106776820
N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 106667566
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
5-(aminomethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 126972399
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine (CID 114216522) is N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine is CCCNCc1cnc(C)nc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine?
The InChIKey is TYPBGQJYAKDBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-7-14-8-11-9-15-10(2)16-12(11)17-13(3,4)5/h9,14H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine?
N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-(propylaminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).