4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

C14H27N5 — CID 80816434

IUPAC4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CCN(C)C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C14H27N5/c1-6-7-19(9-8-18(4)5)14-12(11(2)3)13(15)16-10-17-14/h10-11H,6-9H2,1-5H3,(H2,15,16,17)
InChIKeyAQBDYDPUGWNXDO-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.96
Rot. Bonds7

About 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 80816434) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
PubChem CID80816434
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CCN(C)C)c1ncnc(N)c1C(C)C
InChIInChI=1S/C14H27N5/c1-6-7-19(9-8-18(4)5)14-12(11(2)3)13(15)16-10-17-14/h10-11H,6-9H2,1-5H3,(H2,15,16,17)
InChIKeyAQBDYDPUGWNXDO-UHFFFAOYSA-N
XLogP1.96
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
4-N-[2-(dimethylamino)ethyl]-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80815798
4-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796579
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848620
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80814927
4-N-methyl-5-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847885
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828643

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine (CID 80816434) is 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is CCCN(CCN(C)C)c1ncnc(N)c1C(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is AQBDYDPUGWNXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-7-19(9-8-18(4)5)14-12(11(2)3)13(15)16-10-17-14/h10-11H,6-9H2,1-5H3,(H2,15,16,17).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.96, 7 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]-5-propan-2-yl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80816434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).