6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

C16H23N5 — CID 114957968

IUPAC6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-18-14-8-15(21-16(20-14)11(2)3)19-10-13-9-17-7-6-12(13)4/h6-9,11H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyULQOAECKQRWOMI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds6

About 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 114957968) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID114957968
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cnccc2C)nc(C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-18-14-8-15(21-16(20-14)11(2)3)19-10-13-9-17-7-6-12(13)4/h6-9,11H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyULQOAECKQRWOMI-UHFFFAOYSA-N
XLogP3.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
2-(methoxymethyl)-6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957956
2-(ethylamino)-6-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114957522

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 114957968) is 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCc2cnccc2C)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ULQOAECKQRWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-18-14-8-15(21-16(20-14)11(2)3)19-10-13-9-17-7-6-12(13)4/h6-9,11H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(4-methyl-3-pyridinyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 114957968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).