2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide

C14H25N5 — CID 107550214

IUPAC2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H25N5/c1-9(2)7-19(8-10(3)4)14-17-11(5)6-12(18-14)13(15)16/h6,9-10H,7-8H2,1-5H3,(H3,15,16)
InChIKeyZODNRSRYDFIJEN-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.19
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide

2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550214) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550214
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C14H25N5/c1-9(2)7-19(8-10(3)4)14-17-11(5)6-12(18-14)13(15)16/h6,9-10H,7-8H2,1-5H3,(H3,15,16)
InChIKeyZODNRSRYDFIJEN-UHFFFAOYSA-N
XLogP2.19
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
CID 107550077
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 107550214) is 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is ZODNRSRYDFIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9(2)7-19(8-10(3)4)14-17-11(5)6-12(18-14)13(15)16/h6,9-10H,7-8H2,1-5H3,(H3,15,16).
What are the key properties of 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide?
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).