2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine

C11H21N5 — CID 116795743

IUPAC2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)C(CN(C)C)Nc1nccc(N)n1
InChIInChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)14-11-13-6-5-10(12)15-11/h5-6,8-9H,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyNYRNFWWBIUULIW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds5

About 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine (PubChem CID 116795743) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
PubChem CID116795743
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine
SMILESCC(C)C(CN(C)C)Nc1nccc(N)n1
InChIInChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)14-11-13-6-5-10(12)15-11/h5-6,8-9H,7H2,1-4H3,(H3,12,13,14,15)
InChIKeyNYRNFWWBIUULIW-UHFFFAOYSA-N
XLogP1.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,5-diamine
CID 61476180
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
CID 102984055
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 116795499
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-propoxypyridine-2,5-diamine
CID 61476370
2-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80898011
2-N-(1-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 127002152

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine (CID 116795743) is 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine is CC(C)C(CN(C)C)Nc1nccc(N)n1.
What is the InChIKey of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine?
The InChIKey is NYRNFWWBIUULIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(2)9(7-16(3)4)14-11-13-6-5-10(12)15-11/h5-6,8-9H,7H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine?
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).