4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C12H23N5 — CID 80957937

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-9(2)12-14-10(13)8-11(15-12)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyRVGMEZSMEPAVRF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.18
Rot. Bonds5

About 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957937) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957937
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(N(C)CCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-9(2)12-14-10(13)8-11(15-12)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3,(H2,13,14,15)
InChIKeyRVGMEZSMEPAVRF-UHFFFAOYSA-N
XLogP1.18
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80968110
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80956167
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666
4-N-[4-(dimethylamino)butan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960568
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
N'-hydroxy-3-[methyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 43517237
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961650
4-N-cyclopentyl-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960192
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80969280
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957937) is 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(N(C)CCN(C)C)n1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RVGMEZSMEPAVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)12-14-10(13)8-11(15-12)17(5)7-6-16(3)4/h8-9H,6-7H2,1-5H3,(H2,13,14,15).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).