[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide

C11H17N5 — CID 115266637

IUPAC[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(N(C)CC(C)C)n1
InChIInChI=1S/C11H17N5/c1-8(2)6-16(4)11-5-10(13-7-12)14-9(3)15-11/h5,8H,6H2,1-4H3,(H,13,14,15)
InChIKeySGNIMSKTTCYWNU-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds4

About [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide

[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide (PubChem CID 115266637) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide
PubChem CID115266637
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(N(C)CC(C)C)n1
InChIInChI=1S/C11H17N5/c1-8(2)6-16(4)11-5-10(13-7-12)14-9(3)15-11/h5,8H,6H2,1-4H3,(H,13,14,15)
InChIKeySGNIMSKTTCYWNU-UHFFFAOYSA-N
XLogP1.77
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
6-N-(3-aminobutyl)-4-N,2-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 115266442
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
[6-[(3-bromophenyl)methyl-methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266718
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83074339
[2-methyl-6-(N,3,4-trimethylanilino)pyrimidin-4-yl]cyanamide
CID 115266643
4-N,2-dimethyl-6-N-(3-methylbutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874371
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918798
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
6-ethyl-N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 113381344
4-N,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
[2-methyl-6-[(5-methylfuran-2-yl)amino]pyrimidin-4-yl]cyanamide
CID 115266626

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide?
The IUPAC name of [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide (CID 115266637) is [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide.
What is the SMILES notation for [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide?
The canonical SMILES for [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide is Cc1nc(NC#N)cc(N(C)CC(C)C)n1.
What is the InChIKey of [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide?
The InChIKey is SGNIMSKTTCYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)6-16(4)11-5-10(13-7-12)14-9(3)15-11/h5,8H,6H2,1-4H3,(H,13,14,15).
What are the key properties of [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide?
[2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide has a molecular weight of 219.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115266637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).