4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C12H22N4 — CID 80976699

IUPAC4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)(C)C
InChIInChI=1S/C12H22N4/c1-7(2)10-14-9(13)8(3)11(15-10)16-12(4,5)6/h7H,1-6H3,(H3,13,14,15,16)
InChIKeyZCHQAVSTUBDWBY-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.70
Rot. Bonds2

About 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80976699) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80976699
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)(C)C
InChIInChI=1S/C12H22N4/c1-7(2)10-14-9(13)8(3)11(15-10)16-12(4,5)6/h7H,1-6H3,(H3,13,14,15,16)
InChIKeyZCHQAVSTUBDWBY-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106332041
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
4-N-benzyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980652
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80976699) is 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC(C)(C)C.
What is the InChIKey of 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZCHQAVSTUBDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-7(2)10-14-9(13)8(3)11(15-10)16-12(4,5)6/h7H,1-6H3,(H3,13,14,15,16).
What are the key properties of 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80976699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).