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4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

C19H28N6 — CID 56743989

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cccnc2N(C)C2CCCCC2)n1
InChIInChI=1S/C19H28N6/c1-14-12-17(24-19(20-2)23-14)22-13-15-8-7-11-21-18(15)25(3)16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H2,20,22,23,24)
InChIKeySDSBWKVGPVBAHH-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.60
Rot. Bonds6

About 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 56743989) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID56743989
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cccnc2N(C)C2CCCCC2)n1
InChIInChI=1S/C19H28N6/c1-14-12-17(24-19(20-2)23-14)22-13-15-8-7-11-21-18(15)25(3)16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H2,20,22,23,24)
InChIKeySDSBWKVGPVBAHH-UHFFFAOYSA-N
XLogP3.60
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 56743989) is 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NCc2cccnc2N(C)C2CCCCC2)n1.
What is the InChIKey of 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is SDSBWKVGPVBAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-14-12-17(24-19(20-2)23-14)22-13-15-8-7-11-21-18(15)25(3)16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 340.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 56743989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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