1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine

C12H22N4 — CID 63732652

IUPAC1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-5-10(13)7-14-11-6-9(4)15-12(16-11)8(2)3/h6,8,10H,5,7,13H2,1-4H3,(H,14,15,16)
InChIKeyKSFPBFMCIPEGMB-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds5

About 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine

1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine (PubChem CID 63732652) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
PubChem CID63732652
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)CNc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-5-10(13)7-14-11-6-9(4)15-12(16-11)8(2)3/h6,8,10H,5,7,13H2,1-4H3,(H,14,15,16)
InChIKeyKSFPBFMCIPEGMB-UHFFFAOYSA-N
XLogP2.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 60967444
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine?
The IUPAC name of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine (CID 63732652) is 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine is CCC(N)CNc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine?
The InChIKey is KSFPBFMCIPEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10(13)7-14-11-6-9(4)15-12(16-11)8(2)3/h6,8,10H,5,7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine?
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 63732652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).