4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

C12H20N4 — CID 80798270

IUPAC4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)CC2CC2)c1C
InChIInChI=1S/C12H20N4/c1-8-11(13-3)14-9(2)15-12(8)16(4)7-10-5-6-10/h10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyVBYIHRQHFOVLPL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.98
Rot. Bonds4

About 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (PubChem CID 80798270) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
PubChem CID80798270
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)CC2CC2)c1C
InChIInChI=1S/C12H20N4/c1-8-11(13-3)14-9(2)15-12(8)16(4)7-10-5-6-10/h10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyVBYIHRQHFOVLPL-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
6-hydrazinyl-N,2,5-trimethyl-N-(oxan-4-ylmethyl)pyrimidin-4-amine
CID 80910084
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
4-N-(cyclohexylmethyl)-4-N,6-N,5-trimethyl-2-propylpyrimidine-4,6-diamine
CID 80987928
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80825264
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
6-hydrazinyl-N,2,5-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 80913259
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (CID 80798270) is 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is CNc1nc(C)nc(N(C)CC2CC2)c1C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The InChIKey is VBYIHRQHFOVLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-11(13-3)14-9(2)15-12(8)16(4)7-10-5-6-10/h10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).